X-ray crystallographic study of solid-state polymerization of trioxane and tetraoxymethylene

An X-ray study has been applied to clarify the relationship between crystal structures and crystal orientations of tetraoxymethylene and polyoxymethylene obtained by solid- state polymerization of tetraoxymethylene. The polyoxymethylene crystal obtained by the solidstate polymerization of a tetraoxymethylene single crystal was found to be definitely oriented with respect to the original tetraoxymethylene single crystal without any aftertreatment; i.e., the polymer chain (the c-axis) is parallel to the b-axis of tetraoxymethylene and the a-axis of polyoxymethylene coincides to the c-axis of tetraoxymethylene.

In addition to the main orientation, other preferred crystalline orientations (“twin structure”) of polyoxymethylene were observed in polymers polymerized at lower temperatures (60-80°C); i.e., the polymer chains are parallel to either the [100], [001], or [101] direction of the original tetraoxymethylene crystal, though the amount of such oriented crystallites is small. The twin structure is different from that of polyoxymethylene obtained from trioxane. This difference is due to the crystal structures of these original materials; tetraoxymethylene occurs in the monoclinic system, while trioxane belongs to the trigonal system, as does polyoxymethylene. These characteristic orientations are explained in terms of the molecular arrangements in the crystals of the original materials.     

钼单晶体的冷轧及再结晶织构

本文研究了(110)[001]和(111)[112]取向的钼单晶体,在经过70％、80％和85％冷轧后的加工織构,以及退火后的再结晶織构。分析了(111)[112]取向晶体在轧制变形时,由于各组滑移系间的交互作用而引起晶体取向的转动,从定向生核的观点,能够比较满意地解释这类取向的晶体随着压下量从70％增加到85％,再结晶織构从(221)[114]、(110)[001]向着(320)[001]和(210)[001]逐渐变化的现象。 关键词：     

Change of superdislocation splitting with strain in single crystals of the Ni3Fe ordered alloy

The method of transmission electron microscopy is used to study the dislocation structure in single crystals of the Ni ₃ Fe ordered alloy for different degrees of strain. The [1812], [011], [111] and [001] single crystal orientations are examined. The superdislocation splitting (r) is measured for different degrees of strain, distributions of r are constructed, and their average values 〈r〉 are estimated. The 〈r〉-ε curves are constructed. With the use of the experimental r values, the effective energy of antiphase boundaries ζ* is estimated. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 51–56, January, 2006.     

Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations

By molecular dynamics simulations employing an embedded atom method potential,we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001],[011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction,and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings,and the appearance of the hcp phase is due to the partial dislocation moving forward on {111} fcc family. For [011] loading,the hcp phase grows to form laminar morphology in four planes,which belong to the {111} fcc family; while for [111] loading,the hcp phase grows into a laminar structure in three planes,which belong to the {111} fcc family except for the (111) plane. In addition,the phase transition is evaluated by using the radial distribution functions.     

铁冲击相变的晶向效应

采用基于火炮加载的三样品精细波剖面对比测量,研究了晶向效应对铁弹-塑性转变及体心立方结构(bcc,α相)至六角密排结构(hcp,ε相)相变特性的影响.观测到单晶铁异常的弹-塑性转变行为,这与基于位错密度描述的黏塑性本构模型计算结果相符,对应的Hugoniot弹性极限δ_(HEL)均大于6 GPa,且具有晶向相关性,即δ(111)/(HEL)δ(110)/(HEL)δ(100)/(HEL);系统获取了相变起始压力P_(PT)晶向相关性的实验数据,[100],[110]和[111]晶向的PPT实测值分别为13.89±0.57 GPa,14.53±0.53 GPa,16.05±0.67 GPa,其变化规律与非平衡分子动力学计算结果相符.上述结果揭示出冲击压缩下单晶铁存在塑性与相变微观机理的强耦合,为完善用于冲击实验描述的相场动力学模型提供了重要的实验支撑.     

Orientation effects on the bandgap and dispersion behavior of 0.91Pb(Zn_1/3Nb_2/3)O₃-0.09PbTiO₃ single crystals

0.91Pb(Zn1/3Nb2/3)O3-0.09PbTiO 3(PZN-9%PT) single crystals with different orientations are investigated by using a spectroscopic ellipsometer,and the refractive indices and the extinction coefficients are obtained.The Sellmeier dispersion equations for the refractive indices are obtained by the least square fitting,which can be used to calculate the refractive indices in a low absorption wavelength range.Average Sellmeier oscillator parameters E o,λ o,S o,and E d are calculated by fitting with the single-term oscillator equation,which are related directly to the electronic energy band structure.The optical energy bandgaps are obtained from the absorption coefficient spectra.Our results show that the optical properties of [001] and [111] poled crystals are very similar,but quite different from those of the [011] poled crystal.     

Effect of the orientation of strain axes on the creep in Ni<Subscript>3</Subscript>Ge alloy single crystals

The creep in Ni₃Ge alloy single crystals with strain axis orientations of [001], [$ \bar 1 $ \bar 1 39], [$ \bar 2 $ \bar 2 34], and [$ \bar 1 $ \bar 1 22] was investigated. It was found that changes in strain axis orientation that lead to cubic slip increase the creep resistance of Ni₃Ge alloy single crystals.     

Deformation behavior of PZN–6%PT single crystal during nanoindentation

The deformation behavior of [001]^T- and [011]^T-cut single crystal solid solution of Pb(Zn_1/3Nb_2/3)O₃–6% PbTiO₃ (PZN–6%PT) in both unpoled and poled states has been investigated by nanoindentation. Nanoindentation experiments reveal that material pile-up and local damage around the indentation impressions are observed at ultra-low loads. These pile-ups and local damage cause a pop-in event (i.e. a sudden increase in displacement at an approximately constant load) in the nanoindentation load–displacement curve (P–h curve). Detailed studies of the relationships between indentation load (P), displacement (h) and harmonic contact stiffness (S) suggest that there is a surface layer, possibly due to crystal fabrication processes, which possesses different mechanical properties from the interior. The thickness of this surface layer is estimated to be approximately 300 nm. Furthermore, it is found that [011]^T-cut crystal is stiffer than [001]^T-cut crystal. On the other hand, both [001]^T- and [011]^T-cut crystals in unpoled state possess lower contact stiffness than poled crystals. This finding suggests that poling improved the mechanical property of the crystal. In summary, poled [001]^T-cut crystals have an elastic modulus of (107 ± 6) GPa and a hardness of (5.1 ± 0.4) GPa. In contrast, the modulus for [011]^T-cut crystals is not constant but increases with indentation depth.     

Subsurface deformation in copper single crystals during reciprocal sliding

The deformation surface pattern generated on the faces of a copper single crystal loaded by a compression force and simultaneously sliding over the counterbody surface has been studied. The samples under study are copper single crystals with different orientations of the compression axis, which are grown by the Bridgman method. The study of the friction of single crystals with the orientations [110] and [ $ \bar 1 $ 11] has revealed that the shear systems whose action manifests itself on side faces are localized near the friction zones. The density of traces formed in this process decreases with the distance from the butt-end. The [110] single crystal has regions of higher density near the butt-end. Different patterns of shear on the side faces of [ $ \bar 1 $ 11] single crystals, resulting from the friction and uniaxial compressions, have been observed: they consist in the absence of deformation macrobands during friction.     

On the surface analysis of small metal crystals

Small metal crystals as catalyst particles have often a surface which is composed not only of plane but also of curved faces. Using the example of the electron micrograph of a Pt particle an analysis is described which enables a determination of the orientation, the shape and the faces of a crystal. The analysis shows that the particle has a [320] orientation. The surface consists to ~ 37% of {111} faces, to ~ 28% of {100} faces and to ~ 35% of curved area. The curved region is mainly composed of {011}, {113}, {012} and {133} faces. The curved surface has the structure of a frozen state of thermal roughening. Such frozen structures have special adsorption sites in low concentration which in some cases may be important for the catalytic reaction.     

Orientation effects on the bandgap and dispersion behavior of 0.91Pb（Zn_（1/3）Nb_（2/3））O_3-0.09PbTiO_3 single crystals

0.91Pb(Zn_1/3Nb_2/3)O₃--0.09PbTiO₃ (PZN--9%PT) single crystals with different orientations are investigated by using a spectroscopic ellipsometer, and the refractive indices and the extinction coefficients are obtained. The Sellmeier dispersion equations for the refractive indices are obtained by the least square fitting, which can be used to calculate the refractive indices in a low absorption wavelength range. Average Sellmeier oscillator parameters E_o, $\lambda$_o, S_o, and E_d are calculated by fitting with the single-term oscillator equation, which are related directly to the electronic energy band structure. The optical energy bandgaps are obtained from the absorption coefficient spectra. Our results show that the optical properties of [001] and [111] poled crystals are very similar, but quite different from those of the [011] poled crystal.     

Fe81Ga19合金晶体生长取向与磁致伸缩性能

通过区熔定向凝固法,生长出[001]易磁化方向与晶体轴向之间存在不同取向差的Fe₈₁Ga₁₉合金单晶体和Fe₈₁Ga₁₉合金多晶体.极图测试结果显示,Fe₈₁Ga₁₉合金单晶体的[001]方向与轴向取向差分别为12°,5°和3°.采用电阻应变片法测定相应磁致伸缩应变,与外加磁场方向平行的轴向磁致伸缩应变分别为254×10^-6,271×10^{-6< 关键词： 磁致伸缩 81Ga₁₉合金')" href="#">Fe₈₁Ga₁₉合金 晶体取向}     

Domain structures in rutile in ultrahigh-pressure metamorphic rocks from Dabie Mountains, China

According to the HRTEM study, the UHP jadeite-quartzite mineral (Rutile, TiO(2)) in Anhui Province, Dabie Mountains, China, has ultrastructures such as 011 two-dimensional commensurable modulated structures or superstructures, [011] twin domain structures, dislocations and crystal deformations. The SAED patterns and HRTEM images indicate the existence of the deformations and stacking faults on the interface of [011] twin crystal of rutile and its two-dimensional commensurate modulated structures with repetition period 0.753 nm (3d(011)) has tetragonal symmetry, cell parameters a = 3a0 = 1.377 nm (a0 = 0.459 nm), c = c0 = 0.3 nm. The modulated structures of rutile were probably caused by the isomorphic replacement of Ti(4+) and position modulation or occupation modulation of oxygen atoms in different degree; the deformation structures reveal that during the process of crystallization and mineralization, this mineral may be affected by the geological environment (such as temperature, pressure and stress), metamorphism and deformation.     

Effects of magnetic field on shape evolution of Fe–Co particles in a Cu matrix

The effects of magnetic field on the shape evolution of ferromagnetic fcc Fe–Co particles in Cu–0.83 at.% Fe–1.37 at.% Co alloy single crystals were examined using magnetic anisotropy measurements. The Cu–Fe–Co single crystals were aged at 993 K for 2 h to 24 h under a magnetic field of 10 T parallel to either the [001] or [011] direction. The magnetic anisotropy was examined by measuring magnetic torque around the (100) plane. It was found that the fcc Fe–Co particles are elongated in the direction parallel to the magnetic field. Furthermore, the elongation along [001] is more remarkable than that along [011]. The results are explained quantitatively by considering the minimization of the sum of the interface energy, elastic strain energy and magnetostatic energy of spheroidal particles.     

三羟甲基甲胺单晶缺陷的X射线衍射形貌研究

三羟甲基甲胺(Trihydroxymethylaminomethane,缩写为TAM)是一种新型的X射线分光晶体,综合分光性能优于季戍四醇(PET)。X射线形貌鉴定结果表明,除了宏观包裹物和包裹列外,主要是门类繁多的位错,还有面缺陷干涉条纹。文中扼要讨论了缺陷形成的结构影响因素。 关键词：     

Experimental determination of third-order elastic constants of diamond

To determine the nonlinear elastic response of diamond, single crystals were shock compressed along the [100], [110], and [111] orientations to 120 GPa peak elastic stresses. Particle velocity histories and elastic wave velocities were measured by using laser interferometry. The measured elastic wave profiles were used, in combination with published acoustic measurements, to determine the complete set of third-order elastic constants. These constants represent the first experimental determination, and several differ significantly from those calculated by using theoretical models.     

Mixed layer – structured ferroelectrics on the basis of \mbox{\sffamily\bfseries Bi}_{\hbox{\sffamily\bfseries\fontsize{12}{12}\selectfont 4}} \mbox{\sffamily\bfseries Ti}_{\hbox{\sffamily\bfseries\fontsize{12}{12}\selectfont 3}} \mbox{\sffamily\bfseries O}_{\hbox{\sffamily\bfseries\fontsize{12}{12}\selectfont 12}}

Thermal diffusivities of pure YVO₄ single crystal and single crystals doped with Nd, Tm and Ca ions are measured using a modified ?ngstr?m's method. Measurements were carried out for main crystallographic directions ([100], [010] and [001]). Obtained results show that the thermal diffusivity in [001] direction is considerably higher than in (001) plane. Decrease of the thermal diffusivity is observed with growing concentration of dopants. For the heavier doped sample (5% at. of Tm + 0.4% at. of Ca) a drop of the thermal diffusivity is about 35%.     

Mechanism of formation of cellular dislocation structures during propagation of intense shock waves in crystals

The mechanism of formation of a cellular dislocation structure in face-centered cubic (fcc) metal crystals subjected to shock compression at strain rates \(\dot \varepsilon \) > 10⁶ s^?1 has been considered theoretically within the dislocation kinetic approach based on the kinetic equation for the dislocation density (dislocation constitutive equation). A dislocation structure of the cellular type is formed in the case of a two-wave structure of the compression wave behind its shock front (elastic precursor). It has been found that, at pressures σ > 10 GPa, the dislocation cell size Λ _c depends on the pressure σ and the density ρ _G of geometrically necessary dislocations generated at the shock front according to the relationship Λ _c ～ ρ _G ^?n ～ σ^?m , where n = 1/4–1/2, m = 3/4–3/2, and m = 1, for different pressures and orientations of the crystal. It has been shown that, in copper and nickel crystals with the shock loading axis oriented along the [001] direction, the cellular structure is not formed after reaching the critical pressures σ _c equal to 31 and 45 GPa, respectively.     

The nucleation of faulted dipoles at intersection jogs in γ-TiAl

Single crystal samples of n-(Ti-54.7 at.% Al) deformed to a permanent strain of 2% at room temperature under multiple-slip conditions contain faulted dipoles (FDs) whose density exhibits some dependence on load orientation. Although FDs are hard to observe after compression along [210], they are profuse and congregated in places in the [1 1 8.6] load orientation. They exhibit most of the topological characteristics of FDs formed under single slip as reported by Grégori and Veyssière such as elongation in the screw direction of the primary d011] slip direction and a noticeable shape asymmetry. It is shown further that, in the [1 1 8.6] samples, bundles of FDs originate at jogs that result from intersection with forest dislocations of appropriate Burgers vectors. A mechanism for FD nucleation is proposed on the basis of asymmetrical dissociation of the parent d011] dislocation and specific impingements between the various partials on two adjacent octahedral planes. Implications of the FD nucleation at jogs on the load orientation dependence of the FD density are discussed.     

An investigation of misfit dislocations in Al on (001) GaAs grown by chemical beam epitaxy

We report a transmission electron microscope study of the morphology and interfacial structure of Aluminium grown on (001) GaAs by chemical beam epitaxy (CBE). The Al grows in islands for all thicknesses deposited, and exhibits four distinct orientation relationships with respect to the substrate. One of these orientation relationships becomes dominant as growth progresses, with (011)_Al parallel to (001)_GaAs. Misfit dislocations can be seen in the interface between this orientation and the substrate with Burgers vector 1/4(110)_GaAs, and a crystallographic analysis shows that these dislocations are associated with interfacial steps of height 1/2[001]_GaAs. In (001)Al on (001)GaAs, the existence of these dislocations has in the past been regarded as evidence for the existence of a rigid-body shift of the Al in the interfacial plane. Using cross-sectional high-resolution TEM, it is shown that this shift is not present in the (011) orientation. The similarity in the microstructure and crystallography of the (001) and (011) orientations leads us to suggest that there is also no shift in (001) Al on (001)GaAs. This is in conflict with previous investigations of this system using a wide variety of techniques.