Some New Results from the Electron Theory on the Elastical of Alkahoe Earth Metals and Rare Earth Elements

With the introduction of Poisson's ratio in the expression of Young's modulus,nearly all the theoretical values of the various elastic moduli for the alkaline earth metals and rare earth elements can be greatly refined, with the single exception of the theoreticalvalue of Young's modulus for Pr which is slightly increased This points to the validityof the new theory, that the bulk modulus is independent of the Poisson's ratio, and further that the valency electron structures of solids as determined by Yu's theory are correct.

Elastoplastic response of functionally graded cemented carbides due to thermal loading

Finite dement formulations are used to simulate the evolution of the elastoplastic response of functionally graded cemented carbides （FGCC） due to thermal loading. The geometry of specimens is an axisymmetric solid cylinder with a two-dimensional gradient. The elastoplastic constitutive relationship is developed by constraint factors. Numerical results show that compressive stresses occur in the surface zone and tensile stresses in the cobalt rich zone when the temperature drops from the initial stress-free temperature of 800 to 0℃. The maximum value of the surface compressive stress is 254 MPa and the maximum value of the tensile stress is 252 MPa in the cobalt rich zones. When the cobalt concentration difference in the specimens is equal to or greater than 0.3, there is pronounced plastic flow in cobalt rich zone. When the temperature heats up from 0 to 800 ℃, the total plastic strain reaches 0.001 4. Plastic flow has a significant effect on the reduction of thermal stress concentration.

Microstructure and superelastic properties of free forged Ti-Ni shape-memory alloy

Elemental titanium(Ti)and nickel(Ni)powders were consolidated by spark plasma sintering(SPS)to fabricate Ti-51%Ni(mole fraction)shape-memory alloys(SMAs).The objective of this study is to enhance the superelasticity of SPS produced Ti-Ni alloy using free forging as a secondary process.Products from two processes(with and without free forging)were compared in terms of microstructure,transformation temperature and superelasticity.The results showed that,free forging effectively improved the tensile and shape-memory properties.Ductility increased from 6.8%to 9.2%after forging.The maximum strain during superelasticity increased from 5%to 7.5%and the strain recovery rate increased from 72%to 92%.The microstructure of produced Ti-51%Ni SMA consists of the cubic austenite(B2)matrix,monoclinic martensite(B19′),secondary phases(Ti3Ni4,Ti2Ni and TiNi3)and oxides(Ti4Ni2O and Ti3O5).There was a shift towards higher temperatures in the martensitic transformation of free forged specimen(aged at 500°C)due to the decrease in Ni content of B2 matrix.This is related to the presence of Ti3Ni4 precipitates,which were observed using transmission electron microscope(TEM).In conclusion,free forging could improve superelasticity and mechanical properties of Ti-51%Ni SMA.

Physical Properties of Si_(2)Ge and SiGe_(2) in Hexagonal Symmetry:First-Principles Calculations

We predict two novel group 14 element alloys Si_(2)Ge and SiGe_(2) in P6_(2)22 phase in this work through first-principles calculations.The structures,stability,elastic anisotropy,electronic and thermodynamic properties of these two proposed alloys are investigated systematically.The proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) have a hexagonal symmetry structure,and the phonon dispersion spectra and elastic constants indicate that these two alloys are dynamically and mechanically stable at ambient pressure.The elastic anisotropy properties of P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) are examined elaborately by illustrating the surface constructions of Young’s modulus,the contour surfaces of shear modulus,and the directional dependence of Poisson’s ratio;the differences with their corresponding group 14 element allotropes P6_(2)22-Si_(3) and P6_(2)22-Ge_(3) are also discussed and compared.Moreover,the Debye temperature and sound velocities are analyzed to study the thermodynamic properties of the proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2).

Size-dependent elastic properties of thin films: surface anisotropy and surface bonding

Surface eigenstress and eigendisplacement models were used to investigate the surface stress, surface relaxation and surface elasticity of thin films with different surface orientations. Molecular dynamics simulations and first-principles calculations were conducted on face-centered cubic Au films with the focus on relaxation induced nonlinear initial deformation. The simu- lation results verify the theoretical predictions of the size dependency of surface energy density and surface stress, and the non- linear scaling law of the size-dependent Young＇s modulus of thin films. The mechanism of the size-dependent behaviors was further explored at the atomic bonding level with the charge density field. The Au atomic bonding at surfaces is enhanced compared to its interior counterpart and therefore the nominal Young＇s modulus of the Au thin films is larger when the film thickness is smaller.surface elasticity,

Electrical control of antiferromagnetic metal up to 15 nm

Manipulation of antiferromagnetic(AFM) spins by electrical means is on great demand to develop the AFM spintronics with low power consumption. Here we report a reversible electrical control of antiferromagnetic moments of FeMn up to 15 nm, using an ionic liquid to exert a substantial electric-field effect. The manipulation is demonstrated by the modulation of exchange spring in[Co/Pt]/FeMn system, where AFM moments in FeMn pin the magnetization rotation of Co/Pt. By carrier injection or extraction,the magnetic anisotropy of the top layer in FeMn is modulated to influence the whole exchange spring and then passes its influence to the [Co/Pt]/FeMn interface, through a distance up to the length of exchange spring that fully screens electric field. Comparing FeMn to IrMn, despite the opposite dependence of exchange bias on gate voltages, the same correlation between carrier density and exchange spring stiffness is demonstrated. Besides the fundamental significance of modulating the spin structures in metallic AFM via all-electrical fashion, the present finding would advance the development of low-power-consumption AFM spintronics.

Calculation of Half-Metal, Debye and Curie Temperatures of Co_2 VAl Compound: First Principles Study

By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co2 VAl are investigated. The results indicate that Ferromagnetic （FM） phase is more stable than Anti- Ferromagnetic （AFM） and Non-magnetic （NM） ones. In addition, C11-C12 〉 0, C44 〉 0, and B 〉 0 so Co2 VAl is an elastically stable material with high Debye temperature. Also, the BIG ratio exhibits a ductility behavior. The relatively high Curie temperature provides it as a favorable material for spintronic application. It＇s electronic and magnetic properties are studied by GGA ＋U approach leading to a 100% spin polarization at Fermi level.