Inhomogeneous elastic deformation of nanofilms and nanowires of NiAl and FeAl alloys

The molecular dynamics study of the uniaxial tension of nanofilms and nanowires of NiAl and FeAl intermetallide alloys has been performed. It has been shown that such samples are elastically deformed until failure at a strain of ? _xx ≈ 0.35. There is an ? _xx interval where the homogeneous deformation is thermodynamically unstable, leading to the formation of domains with different strains. The strain-stress dependence in the thermodynamically unstable region is almost linear, but has different slopes for a nanofilm and a nanowire because of the difference in the dynamics of domain walls.     

Reconstruction of the stiffness of an inhomogeneous elastic plate

The paper discusses the problem of reconstructing the inhomogeneous cylindrical, symmetric stiffness distribution of a round plate using information on the bias function for established oscillations, which is measured at a certain point. A solution is constructed to the direct problem using the Galerkin method and to the inverse problem of reconstructing the stiffness using an iterative approach based on the regularized linearization method. We present the results of calculation experiments on reconstructing different types of functions that show the efficiency of the proposed approach and make it possible to estimate changes in stiffness.     

Effect of temperature on the elastic anisotropy of pure Fe and Fe0.9Cr0.1 random alloy

The elastic properties of pure iron and substitutionally disordered 10 at.?% Cr Fe-Cr alloy are investigated as a function of temperature by using first-principles electronic-structure calculations by the exact muffin-tin orbitals method. The temperature effects on the elastic properties are included via the electronic, magnetic, and lattice expansion contributions. We show that the degree of magnetic order in both pure iron and Fe(90)Cr(10) alloy mainly determines the dramatic change of the elastic anisotropy of these materials at elevated temperatures. The effect of lattice expansion is found to be secondary but also very important for quantitative modeling.     

热粘弹波在变温非均匀合金熔体中的传播

机械波在金属凝固过程中传播的定量计算一直是一个难题,主要原因就是在这个过程中的熔体结构非常复杂.本研究考虑到熔体的变温、非均匀和粘弹性的特点,采用Kelvin粘弹性介质模型,建立了具有粘热损失特性的热粘弹性波动方程,通过隐式有限差分方法对波动方程进行求解,并以ZL203A合金熔体为研究对象,探究了热粘弹波在变温非均匀介质中的传播规律.结果表明:热粘弹波从合金熔体的低温区向高温区传播时,非均匀的温度场对波的传播有较大影响;相反,当波从合金熔体的高温区向低温区传播时,非均匀的温度场对波的传播几乎没有影响.热粘弹波在合金熔体中的衰减系数随频率的增大呈线性增大,而随温度的升高先增大后减小,在熔体的枝晶搭接温度附近达到最大值.     

Effect of oxidation on transformation and deformation behavior in Ni-Ti alloy

Effect of oxidation on transformation and deformation behavior was investigated in Ni-Ti alloy by comparing the as-oxidized specimen and the polished one. Ti's preferable reaction with oxygen results in the compounds such as Ni₃Ti and Ni₄Ti₃, and the Ni-rich region between matrix and oxide. Martensitic transformation did not take place in the Ni-rich region due to the high Ni content while R phase transformation temperature decreased significantly. Oxidation deteriorated the superelasticity due to the formation of the compound as well as the Ni-rich region in which slip deformation occurs instead of induction of martensite.     

Effect of temperature on the anisotropy of AZ31 magnesium alloy rolling sheet under high strain rate deformation

In order to investigate the effect of temperature on the anisotropic behaviour of AZ31 magnesium alloy rolling sheet under high strain rate deformation, the Split Hopkinson Pressure Bar was used to analyse the dynamic mechanical properties of AZ31 magnesium alloy rolling sheet in three directions, rolling direction(RD), transverse direction (TD) and normal direction (ND). The texture of the rolling sheet was characterised by X-ray analysis and the microstructure prior and after high strain rate deformation was observed by optical microscope (OM). The results demonstrated that AZ31magnesium alloy rolling sheet has strong initial {0?0?0?2} texture, which resulted at the obvious anisotropy in high strain rate deformation at 20 °C. The anisotropy reflected in stress–strain curve, yield stress, peak stress and microstructure. The anisotropy became much weaker when the deformation temperature increased up to 250 °C. Continuing to increase the deformation temperature to 350 °C the anisotropy of AZ31 rolling sheet essentially disappeared. The decreasing tendency of anisotropy with increasing temperature was due to the fact that when the deformation temperature increased, the critical resolved shear stress (CRSS) for pyramidal 〈c + a〉 slip, which was the predominant slip mechanism for ND, decreased close to that of twinning, which was the predominant deformation mechanism for RD and TD. The deformation mechanism at different directions and temperatures and the Schmid factor (SF) at different directions were discussed in the present paper.     

过渡金属铝化物FeAl和CoAl弹性性质的第一性原理研究

本文通过第一性原理计算(密度泛函理论结合均匀形变方法)得到过渡金属铝化物FeAl和CoAl的二阶和三阶弹性常数,这些弹性常数是通过拟合计算出的能量与应力关系得到的。计算结果和理论数据及实验值符合的很好。接下来本文又研究了FeAl和CoAl在不同压强下的弹性性质。不同压强下的弹性常数Cij,体模量B,剪切模量G,泊松比σ 也成功的得到了。B/G比值和柯西压强 PC 都表明在零压下FeAl和CoAl表现出脆性。在压强小于60GPa的情况下,增大压强可以增强它们的韧性,但它们始终表现为脆性。     

Effect of megaplastic deformation on the magnetic properties of FeNi alloy

The effect megaplastic deformation has on the coercivity and specific saturation magnetization of soft-magnetic equiatomic FeNi alloy is studied at room temperature in a Bridgman chamber by means of X-ray diffraction, Mössbauer spectroscopy and magnetometry. Structural features responsible for changes in the alloy’s properties at different stages of deformation are revealed.     

Effect of temperature on deformation of carbon nanotube under compression

The mechanical behaviour of carbon nanotubes is one of the basic research fields on the nanotube composites and nano machinery. Molecular dynamics is an effective way for investigating the behaviour of nano structure. The compression deformation of carbon nanotubes (CNTs) under different temperature is simulated, by using the Tersoff－Brenner potential to describe the interactions in CNTs. The results show that thermal fluctuations may induce the strained CNT to overcome the local energy barrier and develop the plastic deformation.     

Effect of surface elasticity on scattering of elastic P-waves from a nanofiber including an inhomogeneous interphase

Scattering of elastic P-waves from a nanofiber in a matrix is studied analytically throughout this paper. An inhomogeneous interphase region is considered between the nanofiber and the matrix. Dividing the interphase into homogeneous sublayers, surface elasticity effects are studied in the layers adjacent to matrix and nanofiber. Wave function expansion method is used to solve the corresponding equations in all three phases including fiber, interphase, and matrix. Dynamic stress concentration factors around the nanofiber are calculated and utilizing a parametric study, effects of different parameters, such as nanoscale interface, interphase thickness, and interphase rigidity are investigated. The results indicate that considering the effects of surface elasticity in wave scattering problems from inhomogeneous interphases show a major impact on the results. The dimensionless equations presented in this paper provide the possibility of further numerical studies.     

BaHfO3纳米薄膜电子结构、光学和弹性性质的第一性原理研究

采用基于密度泛函理论的第一性原理方法,在局域密度近似（LDA）下研究了厚度为0.626～2.711nm (100)面BaHfO3薄膜的电子结构、光学和弹性性质．电子结构和光学性质计算结果表明：以BaO为表面层原子的BaHfO3纳米薄膜均为直接带隙半导体材料,带隙随薄膜厚度减小而逐渐减小,表现出明显的量子尺寸效应,此时薄膜的光学吸收边发生红移,吸收带出现窄化现象．以HfO2作为表面层原子的BaHfO3薄膜则属于间接带隙半导体材料,且带隙随薄膜厚度减小而微弱增加．弹性性质计算结果表明：体弹模量、剪切模量和杨氏模量等表征材料硬度的力学参数均随BaHfO3纳米薄膜厚度减小而显著减小,呈现尺寸效应．电荷密度分布分析揭示了薄膜厚度改变了BaHfO3纳米薄膜的价健特性,这是材料硬度改变的内在原因．该研究结果为BaHfO3纳米薄膜材料的设计与应用提供了理论依据．     

The effect of deformation on the superconducting transition temperature of a niobium-32% zirconium alloy

An increase of T_c by up to 0.5 with a 93 per cent area reduction of a Nb-32%Zr alloy is reported. Various possibilities for explaining this phenomenon are discussed.     

The intrinsic low temperature magnetic and transport properties of NiAl

The magnetic susceptibility, resistivity, magnetoresistance, and NMR properties of very pure stoichiometric NiAl samples have been measured. The Kondo-like phenomena previously observed in this material are absent suggesting that the intrinsic properties agree with a simple Fermi surface as predicted by APW calculations.     

Effect of deformation on the elastic and quasielastic scattering of heavy ions near the Coulomb barrier

It is shown that elastic and quasielastic cross sections at large angles provide the same information on static deformation properties as does sub-barrier fusion. The results have their “classical” form even for coupling to a small number of excited states.     

Effect of proton and laser irradiation on the elastic and inelastic properties of a V-Ti-Cr alloy

The behavior of Young’s modulus E and the decrement of ultrasonic vibrations δ in a V-4Ti-4Cr alloy is studied during proton (8-MeV protons, dose rate 10⁴ Gy/s) or IR laser (YAG: Nd³⁺ laser, wavelength 1.06 μm, intensity up to 10² W/cm²) irradiation. Measurements are performed using the method of a composite piezoelectric oscillator (longitudinal 100-kHz resonance vibrations). The sizes of the irradiated surface regions of a sample in the proton and laser experiments are the same in order to provide the same thermal conditions in the sample-quartz transducer system. The amplitude, time, and temperature dependences of E and δ are measured before and after preliminary plastic deformation, as well as before, during, and after irradiation of a sample. The process of postdeformation aging (the kinetics of recovery of internal friction after deformation) during proton irradiation is shown to differ substantially from that during laser irradiation. The specific features detected can be explained by the more intense evolution of the defect structure during proton irradiation. Analysis shows that radiation annealing is related to the ionizing component of proton irradiation, which excites the electronic subsystem of the metallic alloy and, thus, creates hot electrons and plasmons. The electron excitations relax at lattice defects (dislocations) and increase the dislocation mobility; this results in a relatively rapid decrease in the dislocation density and in a more significant (as compared to the laser irradiation) decrease in the level of internal stresses in the material. __________ Translated from Fizika Tverdogo Tela, Vol. 46, No. 8, 2004, pp. 1409–1415. Original Russian Text Copyright ? 2004 by Kardashev, Plaksin, Stepanov, Chernov.     

Effect of adsorbed oxygen on the properties of ytterbium nanofilms

The effect of O₂ molecules adsorbed on the surface of ytterbium nanofilms on the properties of the volume and surface of these films has been studied. It has been shown that the dependence of the work function of the films on the concentration of O₂ adsorbed molecules exhibits a nonmonotonic behavior: originally, the work function decreases, to start increasing again on passing through a minimum. At high oxygen doses, this increase stops. Adsorption of oxygen brings about a fundamental rearrangement of the Auger spectra of ytterbium; indeed, the Auger peaks observed before oxygen adsorption disappear completely after its deposition on the surface, to become replaced by other ones. The results obtained qualitatively agree with similar observations amassed by the present authors in studies of adsorption of CO molecules on the surface of ytterbium films. These results should be ascribed to a manifestation of complex processes of electron exchange between these films and adsorbed O₂ molecules. These processes end up in a qualitative rearrangement of the electronic structure of the part of film volume that borders the surface, where ytterbium transforms into the d metal.     

Effect of thermal expansion on the elastic moduli and Debye temperature of paramagnetic lutetium

The temperature dependence of the Young’s modulus E of paramagnetic lutetium has been studied. It has been shown that an important reason for the dependence E(T) is thermal expansion of the crystal lattice, which also leads to a change in the Debye temperature Θ. The effect of this factor is also revealed in the thermodynamic properties of metals. In particular, we have shown that there is another contribution to variation of the total specific heat of lutetium, associated with the Θ(T) dependence and comparable with the electronic contribution. Fiz. Tverd. Tela (St. Petersburg) 40, 1581–1584 (September 1998)     

Effect of heat treatment on the elastic characteristics of a bulk amorphous Zr-Cu-Ni-Al-Ti alloy

The changes in the elastic properties of a bulk Zr_52.5Cu_17.9Ni_14.6Al₁₀Ti₅ metallic glass exposed to heat treatments at temperatures of up to 700°C were studied by acoustic methods. An anomalous decrease in the alloy shear modulus (to values lower than that in the amorphous state) was found after the first stages of nanocrystallization.     

Effect of elastic strain and stress on the superconducting transition temperature of quench-condensed films

The volume dependence of the superconducting transition temperatureT _c of amorphous and highly disordered films is investigated by bending the film substrate. The volume coefficientd InT _c /d InV of annealed Sn and Pb films agrees with the volume coefficient known from hydrostatic pressure experiments. This bending technique is applied to superconducting modifications which can be produced only by quench condensation onto a substrate at liquid helium temperature. Amorphous films such as Bi, Ga, Sn₉₀Cu₁₀ and Pb_xBi_1–x, as well as highly disordered Sn and Pb films, are investigated. The relations found between the volume coefficient, the electron-phonon coupling constant and the Grüneisen parameter _G are in reasonable agreement with the volume dependence ofT _c for non-transition metals, obtained on the basis of the McMillan equation. In particular, the results represent an expansion of this kind of investigation to very strong-coupling superconductors.Dedicated to Prof. Dr. W. Buckel on the occasion of his 60th birthdayPaper based in part on a Habilitationsschrift submitted to the Fakultät für Physik, Universität Karlsruhe (TH)