Effects of Increasing Tungsten on Structural,Elastic and Optical Properties of xWO3-（40-x）Ag2O-60Te2O Glass System

Ternary teiiurite glasses with composition of xWO_3(40-x)Ag_2O-60TeO_2(x=0-40 mol%) have been prepared by melt-quenching method.Elastic and optical properties of the glass system were obtained by ultrasonic velocity measurements and UV-vis spectroscopy,respectively,while structural investigation was carried out by using Raman spectroscopy.The longitudinal and shear velocities,v_L and v_s showed large increase at x from 0 to 20 mol%before decrease with further addition of WO_3.Independent longitudinal modulus C_L and shear modulus μ bulk modulus K_e Young's modulus Vand Debye temperature θ_D showed similar behaviors to both velocities.The large increase of the elastic moduli at x from 0 to 20 mol%is suggested to be due to the increase in WO_6 octahedral unit structure indicating the increase of bridging oxygen(BO) and formation of stronger Te-O-W bonds compared to Te-O-Te bonds.On the other hand,forx 20 mol%,the decrease in the elastic moduli was due to the increase of non-bridging oxygen(NBO) as a result of formation of WO_4tetrahedral via breaking Te-O-W network.Further analysis by using bulk compression and ring deformation models showed a slight decrease in the ratio of ideal bulk modulus K_(bc) to the experimental bulk modulus K_e and average atomic ring size,/ for× 20 mol%followed by a large increase for x 20 mol%.Our analysis also indicates that limited ring deformation took place and the main compression mechanism in this glass system was mainly ideal isotropic compression.On the other hand,optical band gap E_(opt) showed small variation for x=0-20 mol%but decreased upon higher WO_3 content while refractive index n showed the opposite trend.This optical behavior is suggested to be related to the changes in cross link density and NBO concentration in the glass system.     

Elastic Properties of Potassium Halides under Pressure

The moderate-pressure elastic properties of potassium halides KX （X=F, Cl, Br） was studied theoretically using the density functional theory （DFT） with normconserving pseudopotentials method. The phase transformation from the B1 phase （NaCl-type structure） to the denser B2 phase （CsCl-type structure） occurred at 7.7, 3.46 and 2.96 GPa for KF, KCI and KBr, respectively. The elastic stiffness coefficients and bulk modulus of these materials were calculated as function of hydrostatic pressure and compared with both the experimental and theoretical values.     

Effects of Pressure on the Solidification Microstructure of Mg_(65)Cu_(25)Y_(10) Alloy

The Mg65Cu25Y10 melts were quenched at a temperature of 973 K under various pressures in the range of 2-5 GPa and ambient pressure. The microstructure of the solidified specimens has been investigated by X-ray diffraction, transmission electron microscope and electron probe microanalysis. Experimental results show that the pressure has a great influence on the solidification microstructure of the Mg65Cu25Y10. At ambient pressure, the solidification products are Mg2(Cu,Y) and a very small amount of Y2O3 inclusion. As the pressure is above 2 GPa, a new Cu2(Y,Mg) phase appears, while Y2O3 is not observed at the pressure of 3, 4 and 5 GPa. When the pressure increases from 2 GPa to 5 GPa, the grain sizes of Mg2(Cu,Y) and Cu2(Y,Mg) decrease from 125, 96 nm to 80, 7 nm, respectively. The mechanisms for the effects of the pressure on the phase evolution and microstructure during solidification process of Mg65Cu25Y10 alloy have been discussed.     

Anisotropic Porous Ti6Al4V Alloys Fabricated by Diffusion Bonding:Adaption of Compressive Behavior to Cortical Bone Implant Applications

In this work, porous Ti6Al4V alloys with 30%–70% porosity for biomedical applications were fabricated by diffusion bonding of alloy meshes. Pore structure was characterized by Micro-CT and SEM. Compressive behavior in the out-of-plane direction and biocompatibility with cortical bone were studied. The results reveal that the fabricated porous Ti6Al4V alloys possess anisotropic structure with square pores in the in-plane direction and elongated pores in the out-of-plane direction. The average pore size of porous Ti6Al4V alloys with 30%–70% porosity is in the range of 240–360 μm. By tailoring diffusion bonding temperature, aspect ratio of alloy meshes and porosity, porous Ti6Al4V alloys with different compressive properties can be obtained, for instance, Young's modulus and yield stress in the ranges of 4–40 GPa and70–500 MPa, respectively. Yield stress of porous Ti6Al4V alloys fabricated by diffusion bonding is close to that of alloys fabricated by rapid prototyping, but higher than that of fabricated by powder sintering and space-holder method. Diffusion bonding temperature has some effects on the yield stress of porous Ti6Al4V alloys, but has a minor effect on the Young's modulus. The relationship between compressive properties and relative density conforms well to the Gibson–Ashby model. The Young's modulus is linear with the aspect ratio, while the yield stress is linear with the square of aspect ratio of alloy meshes. Porous Ti6Al4V alloys with 60%–70% porosity have potential for cortical bone implant applications.     

Tribological Properties of Mo-N Hard Coatings on Ti6Al4V by Double Glow Discharge Technique

Mo-N hard coatings on Ti6Al4V were formed using double glow discharge technique. The fundamental coating properties, such as the phase, hardness and elastic modulus were investigated. The tribological performances of the coatings in dry wear condition were studied by means of ball-on-disc wear machine. The experimental results showed that the thickness of the Mo-N hard coating was about 10 µm. The coating was single fcc γ-Mo2N phase with (200) preferred orientation. The hardness and the elastic modulus of the coating was 13.80 GPa and 261.65 GPa respectively. The surface treatment enhanced the hardness and elastic modulus of the surface of Ti6Al4V base greatly. With GCr15 slider ball, the friction coefficient of the Mo-N hard coating was in the range of 0.56~0.65 at the steady state. Though the coating did not show friction reducing effect, it improved the wear resistance of Ti6Al4V greatly.     

A Benchmark for Some Physical Properties of Zinc-Blende ZnS

Somephysical properties of zinc-blende polytype of ZnS were investigated via geometry optimization calculations. After employing a shell model interatomic potential to our computations, some physical parameters such as typical cubic elastic constants, young modulus, shear modulus, bulk modulus, poisson ratio, elastic wave velocities, static and high frequency dielectric constants, and static refractive index zinc-blende ZnS were deduced. Later, previous theoretical results and our current results with each other as well as with former experimental findings were evaluated. Present results exhibit a fair consistency with experiments and better than those of several recent density functional theory results for the considered parameters of related material.     

An Inverse Approach for Extracting Elastic-plastic Properties of Thin Films from Small Scale Sharp Indentation

An inverse method for extracting the elastic-plastic properties of metallic thin films from instrumented sharp indentation has been proposed in terms of dimensional analysis and finite element modeling.A wide range of materials with different elastic modulus,yield strength,and strain-hardening exponent were examined.Similar to the Nix-Gao model for the depth dependence of hardness H,(H/H0)2=1+h*Hh,the relationship between elastic modulus E and indentation depth h can be expressed as(E/E0)4=1+h*Eh.By combining these two formulas,we find that there is a relationship between yield stress σ y and indentation depth h:σy = σy0·(1+h*Hh)f(n)·(1+h*Eh)[0.25-0.54f(n)],where σ y0 is the yield strength associated with the strainhardening exponent n,the true hardness H0 and the true elastic modulus E0.f(n)= 1/2(1-n) is constant,which is only related to n,and h*H and h*E are characteristic lengths for hardness and elastic modulus.The results obtained from inverse analysis show that the elastic-plastic properties of thin films can be uniquely extracted from the solution of this relationship when the indentation size effect has to be taken into account.     

Mechanical Properties and Defective Effects of 316LN Stainless Steel by First-Principles Simulations

In current International Thermonuclear Experimental Reactor (ITER) design, the 316LN austenitic stainless steel (316LN SS) is used for first-wall/blanket structures. Thus, it is necessary to study the fundamental mechanical properties and irradiation effect of 316LN SS. A random solid solution model of Fe-Cr-Ni-Mn-Mo-Si alloy is used for describing 316LN SS. Using first-principles approaches, the elastic constants and ideal strength of the alloy were calculated. Such alloy exhibits good ductile behavior according to the theoretical values of Cauchy pressure and ratio of bulk modulus and shear modulus. Within the 256-atom supercell, inclusion of single vacancy defect further enhances the ductility of the alloy, and the existence of interstitial (Fe, H, He) atoms enhances the Young s modulus.     

Glass-Forming Ability for Nd70-xFe20AlioYx and Nd60-xFe30Al10Yx Alloys

The glass-forming ability (FGA) of Nd70-xFe20Al10Yx and Nd60-xFe30Al10Yx(0≤x≤15) alloys produced by Cu mold casting was investigated.Except Y=5 at.pct,bulk amorphous Nd70-xFe20Al10Yx alloys up to 2mm in diameter were obtained.The GFA for Nd60-xFe30Al10Yx alloys,however,was found to decrease with increase of Y due to the increasing compositional deviation from the original eutectic point of Nd60Fe30Al10 alloy.The Nd60Fe20Al10Y10 and Nd60Fe30Al10 alloy exhibit the largest GFA and can be cast into bulk amorphous cylindrical specimens of 3mmm in diameter.The melting temperature or /and the reduced crystallization temperature is closely related to the GFA of Y-containing alloys.The bulk amorphous c ylinder for the Nd55Fe20Al10Y15 alloy shows a distinct glass transition temperature and a wide supercooled liquid region before crystallization.The crystallization temperature,Tg,and the supercooled liquid region,ΔTx,are 776K and 58K,respectively,The GFA and thermal stability of the Nd-Fe-Al-Y alloys were discussed.     

Effect of Minor Alloying on Crystallization Behavior and Thermal Properties of Zr_(64.5)Ni_(15.5)Al_(11.5)Cu_(8.5) Bulk Amorphous Alloy

Minor alloying plays an important role in the synthesis and improvement of thermal stability of bulk metallic glasses(BMGs).The present study was conducted to investigate the effect of minor additions of Y,Ti and Nb on the crystallization behavior and the thermal properties of Zr64.5Ni15.5Al11.5Cu8.5 alloy.Thermal parameters and the activation energies for crystallization were calculated for four(Zr0.645Ni0.155Al0.115-Cu0.085)100-xMx(M=Y,Ti and Nb,while x=0,2 at.) alloys.The present alloys have wide supercooled liquid region of ≥87 K.Maximum activation energy was found to be greater than 300 kJ/mol for the base alloy.Four crystalline phases were identified in the samples annealed at 823 K for 20 min.Reduced glass transition temperature(Trg) and other thermal parameters such as γ,δ and β were improved by Y and Ti addition.Nb addition resists crystallization below annealing temperature 713 K,however,its effect on thermal properties is not very promising.     

Effect of Hot Isostatic Pressing Conditions and Cooling Rate on Microstructure and Properties of Ti-6Al-4V Alloy from Atomized Powder

The effects of temperature and pressure on density, microstructure and mechanical properties of powder compacts during hot isostatic pressing（HIPping） were investigated. Optimized HIPping parameters of temperature range from 900 to 940℃, pressure over 100 MPa and holding time of 3 h, were obtained. Tensile properties after different heat treatments show that both the geometry of samples and cooling rate have a significant influence on mechanical properties. Finite element method was used to predict the temperature field distribution during HIPped sample cooling, and the experimental results are in agreement with simulation prediction. The interaction of HIPping parameters was analyzed based on the response surface methodology（RSM） in this study.     

Deformation Behavior of the Zr_(53.5)Cu_(26.5)Ni_5Al_(12)Ag_3 Bulk Metallic Glass Over a Wide Range of Strain Rate and Temperatures

The stress–strain relations for the Zr53.5Cu26.5Ni5Al12Ag3 bulk metallic glass(BMG) over a broad range of temperatures(room temperature to its supercooled liquid region) and strain rates(10-4to 10-1s-1) were established in uniaxial compression using a thermal-mechanical simulation system. The superplastic flow was seen above its glass transition temperature(Tg = 694 K) and strain rates of up to 10-1s-1from the variation of stress–strain curves. A deformation map of strain rate vs temperature of Zr53.5Cu26.5Ni5Al12Ag3 was obtained, which was mainly composed of homogeneous and inhomogeneous deformation regions,the former featuring either Newtonian or non-Newtonian flow while the latter characterizing linear elastic behavior followed by shear localization, respectively. A phenomenological constitutive equation used to describe a master curve of viscosity with respect to the strain rate was obtained by fitting the experimental results, which determines the viscosity of the present alloy at the temperature near and above Tg. The results show the Zr53.5Cu26.5Ni5Al12Ag3 BMG is the subject suitable for net shape forming process at the supercooled liquid region.     

Glass-Forming Ability for Nd_(70-x)Fe_(20)Al_(10)Y_x and Nd_(60-x)Fe_(30)Al_(10)Y_x Alloys

The glass-forming ability (GFA) of Nd70-xFe2oAl10Yx and Nd60-xFe30Al10Yx (0< x <15) alloys produced by Cu mold casting was investigated. Except Y=5 at. pct, bulk amorphous Nd70-xFe20Al10Yx alloys up to 2 mm in diameter were obtained. The GFA for Nd60-xFe30Al10Yx alloys, however, was found to decrease with increase of Y due to the increasing compositional deviation from the original eutectic point of Nd60Fe30Al10 alloy. The Nd60Fe20Al10Y10 and Nd60Fe30Al10 alloy exhibit the largest GFA and can be cast into bulk amorphous cylindrical specimens of 3 mm in diameter. The melting temperature or/and the reduced crystallization temperature is closely related to the GFA of Y-containing alloys. The bulk amorphous cylinder for the Nd55Fe20Al10Y15 alloy shows a distinct glass transition temperature and a wide supercooled liquid region before crystallization. The crystallization temperature, Tg, and the supercooled liquid region, TX, are 776 K and 58 K, respectively. The GFA and thermal stability of the Nd-Fe-AI-Y a     

Tribological Properties of Mo-N Hard Coatings on Ti6A14V by Double Glow Discharge Technique

Mo-N hard coatings on Ti6AI4V were formed using double glow discharge technique. The fundamental coating properties, such as the phase, hardness and elastic modulus were investigated. The tribological performances of the coatings in dry wear condition were studied by means of ball-on-disc wear machine. The experimental results showed that the thickness of the Mo-N hard coating was about 10 μm. The coating was single fcc γ-Mo2N phase with (200) preferred orientation. The hardness and the elastic modulus of the coating was 13.80 GPa and 261.65 GPa respectively. The surface treatment enhanced the hardness and elastic modulus of the surface of Ti6AI4V base greatly. With GCr15 slider ball, the friction coefficient of the Mo-N hard coating was in the range of 0.56-0.65 at the steady state. Though the coating did not show friction reducing effect, it improved the wear resistance of Ti6AI4V greatly.     

Pressure-Induced Structural Transitions of the Zinc Sulfide Nano-particles with Different Sizes

ZnS nano-particles with average sizes of 10 nm and 5 nm were fabricated by sol-gel method, and their pressure-induced phase transformations were in-situ examined in a diamond anvil cell by energy dispersive X-ray diffraction （EDXD） from ambient pressure to 35.0 GPa. From the obtained interplanar spacing data,the volume compression ratios were derived at different pressures, and then the bulk modulus and its pressure derivative were obtained by fitting to the Murnaghan equation. It is found that both ZnS nano-particles initially in the zinc-blende phase transformed to cubic NaCl structure in the presence of pressure and the transition was reversible when the pressure was released. Moreover, it is suggested that a smaller particle size will induce a larger transition pressure.     

Effect of Elastic Modulus on Biomechanical Properties of Lumbar Interbody Fusion Cage

This work focuses on the influence of elastic modulus on biomechanical properties of lumbar interbody fusion cages by selecting two titanium alloys with different elastic modulus.They were made by a new β type alloy with chemical composition of Ti-24Nb-4Zr-7.6Sn having low Young's modulus ～50 GPa and by a conventional biomedical alloy Ti-6Al-4V having Young's modulus ～110 GPa.The results showed that the designed cages with low modulus (LMC) and high modulus (HMC) can keep identical compression load ～9.8 kN and endure fatigue cycles higher than 5× 106 without functional or mechanical failure under 2.0 kN axial compression.The anti-subsidence ability of both group cages were examined by axial compression of thoracic spine specimens (T9～T10) dissected freshly from the calf with averaged age of 6 months.The results showed that the LMC has better anti-subsidence ability than the HMC (p<0.05).The above results suggest that the cage with low elastic modulus has great potential for clinical applications.     

Mechanical properties of U-0.95 mass fraction of Ti alloy quenching and aging treatment:a first principles study

First principles plane wave pseudopotential method was executed to calculate the mechanical properties with respect to the uranium-0.95 mass fraction of titanium(U-0.95 mass fraction of Ti) alloy for quenching and aging,including the elastic modulus,the value of shear modulus to bulk modulus(G/B) and the ideal tensile strength.The further research has also been done about the crack mechanism through Griffith rupture energy.These results show that the elastic moduli are 195.1 GPa for quenching orthorhombic a phase and 201.8 GPa for aging formed Guinier-Preston(G.P) zones,while G/B values are0.67 and 0.56,respectively.With the phase change of uranium-titanium(U-Ti) alloy via the quenching treatment,the ideal tensile strength is diverse and distinct with different crystal orientations of the anisotropic α phase.Comparison of quenching and short time aging treatment,both of the strength and toughness trend to improve slightly.Further analysis about electronic density of states(DOS) in the electronic scale indicates that the strength increases continuously while toughness decreases with the aging proceeding.The equilibrium structure appears in overaging process,as a result of decomposition of metastable quenching a phase.Thereby the strength and toughness trend to decrease slightly.Finally,the ideal fracture energies of G.P zones and overaging structure are obtained within the framework of Griffith fracture theory,which are 4.67 J/m2 and 3.83 J/m2,respectively.These results theoretically demonstrate strengthening effect of quenching and aging heat treatment on U-Ti alloy.     

A Comparative Study of Elastic Constants of NiTi and NiAl Alloys from First-Principle Calculations

To investigate the origin of the strong dependence of martensitic transformation temperature on composition, the elastic properties of high temperature B2 phases of both NiTi and NiAl were calculated by a first-principle method, the exact-muffin orbital method within coherent potential approximation. In the composition range of 50–56 at. pct Ni of NiTi and 60–70 at. pct Ni of NiAl in which martensitic transformation occurs, non-basal- plane shear modulus c44 increases with increasing Ni content, while basal...     

Microstructure and mechanical properties of novel Al-Y-Sc alloys with high thermal stability and electrical conductivity

The microstructure and mechanical properties of novel Al-Y-Sc alloys with high thermal stability and electrical conductivity were investigated.Eutectic Al3 Y-phase particles of size 100-200 nm were detected in the as-cast microstructure of the alloys.Al3 Y-phase particles provided a higher hardness to as cast alloys than homogenized alloys in the temperature range of 370-440℃.L12 precipitates of the Al3(ScxYy) phase were nucleated homogenously within the aluminium matrix and heterogeneously on the dislocations during annealing at 400℃.The average size of the L12 precipitates was 11±2 nm after annealing for 1 h,and 25-30 nm after annealing for 5 h,which led to a decrease in the hardness of the Al-0.2 Y-0.2 Sc alloy to15 HV.The recrystallization temperature exceeded 350℃and 450℃for the Al-0.2 Y-0.05 Sc and Al-0.2 Y-0.2 Sc alloys,respectively.The investigated alloys demonstrated good thermal stability of the hardness and tensile properties after annealing the rolled alloys at 200 and 300℃,due to fixing of the dislocations and grain boundaries by L12 precipitates and eutectic Al3 Y-phase particles.The good combination of strength,plasticity,and electrical conductivity of the investigated Al-0.2 Y-0.2 Sc alloys make it a promising candidate for electrical conductors.The alloys exhibited a yield stress of 177-183 MPa,ultimate tensile stress of 199-202 MPa,elongation of 15.2-15.8%,and electrical conductivity of 60.8%-61.5% IACS.