A method to predict the orientation relationship,interface planes and morphology between a crystalline precipitate and matrix: part II – application

A model based on near coincidence of diffraction intensity-weighted reciprocal lattice spots was used to study the orientation relationships between a precipitate and matrix in various alloys. The model was used to calculate the orientation relationship and interface orientations between phases including body-centred cubic, body-centred tetragonal, face-centred cubic and hexagonal close-packed crystals. Comparison of calculated results with those reported from various experimental observations demonstrate that in most cases the model can predict the orientation relationship between two phases with an accuracy of a few degrees or better. Calculation of the interface orientation was found to be very sensitive to the exact orientation relationship and therefore, in some cases, showed significant deviation from experimental observations.     

Clay‐induced Preferred Orientation in Polyethylene/Compatibilized Clay Nanocomposites

Nanocomposites of the organically modified clay Cloisite^® 15A (CL15A) dispersed in HDPE‐g‐MA were prepared by melt‐compounding. Microcomposites of the same clay with HDPE were also obtained with similar procedures. The spherulitic morphology of the polymer matrix was evidenced by optical microscopy in thin films, whereas the structure of the up to 2‐mm–thick, compression‐molded samples was investigated by WAXD and SAXS. Preferred orientation of both the clay and the HDPE crystallites were evidenced in the microcomposites and, to a greater extent, in nanocomposites, whereas in HDPE and HDPE‐g‐MA control specimens hardly any anisotropy was detected. The degree of orientation of PE crystals increases with CL15A concentration, but also with clay exfoliation, with lower cooling rates and decreasing sample thickness. The orientation of the clay platelets parallel to the compression‐molded surface appears to be determined by the platelets anisotropy and by shear in the mixing and the compression‐molding procedures. In turn, it determines the preferred uniaxial orientation of HDPE crystals, which have their crystallographic a axis orthogonal, while b and c are coplanar, to the sample surface, as already reported in the literature for melt‐crystallized HDPE films with thickness below 0.3 μm. It is proposed that the HDPE orientation results from confined crystallization between parallel clay platelets which are on average less than 0.1 μm apart. Simple models, qualitatively accounting for the observed orientation of HDPE, are discussed. Organized architectures resulting from confined crystallization of the polymer matrix in nanocomposites with appropriate anisotropic fillers may be a general feature, important in determining key properties of these systems.     

Local structure of the trigonal defect center for Cr3+ ions in KMgF3 crystals

Abstract

The zero-field splitting D, the anisotropic g-factors g _∥, Δg(=g _∥ ? g _⊥) and the first excited state splitting Δ(² E) for the trigonal Cr³⁺–V_K center in KMgF₃: Cr³⁺ crystals have been studied from Macfarlane's high-order perturbation formulas. From the studies, the local structure of the trigonal center is obtained. The local lattice distortions (i.e., the displacement directions of the ions in the center) are consistent with the expectation based on the electrostatic interaction.     

Mechanism of the FCC–BCC martensitic transformation with the fastest rearrangement of close-packed planes. II. Orientation relationships

The dynamic theory of the formation of martensite crystals as a result of an fcc (γ) – bcc (α) transformation that implies the fastest rearrangement of {111}γ planes into {110}α planes is used to derive interphase orientation relationships. It is shown that the orientation relationships, the macroshear, and the habit plane are uniquely related to the path of the martensitic reaction that is specified by the driving wave process. The dependence of orientation relationships on the elastic properties of the original fcc lattice is found analytically. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 42–47, November, 2008.     

Vibrational entropy of dislocations in Al

The region nearest to a lattice defect must be described by an atomistic model, while a continuum model suffices further away from the defect. We study such a separation into two regions for an edge dislocation. In particular we focus on the excess defect energy and vibrational entropy, when the dislocation core is described by a cluster of about 500–100?atoms, embedded in a large discrete and relaxed, but static, lattice. The interaction between the atoms is given by a potential of the embedded-atom model type referring to Al. The dynamic matrix of the vibrations in the cluster is fully diagonalized. The excess entropy ΔS near the core has positive and negative contributions, depending on the sign of the local strain. Typically, ΔS/k _B ≈ 2 per atomic repeat length along the dislocation core in fcc Al. In the elastic continuum region far from the dislocation core the excess entropy shows the same logarithmic divergence as the elastic energy. Although the work refers to a specific material and defect type, the results are of a generic nature.     

The feasibility of Al-based oxide precipitation in Fe–10%Cr alloy by ion implantation

This paper reports the feasibility of nano-oxide precipitate formation in Fe–Cr alloy by ion implantation synthesis. High contents of Al⁺ and O⁺ ions were implanted into thin films of high purity Fe–10%Cr alloy at room temperature and were studied by transmission electron microscopy (TEM) and atom probe tomography (APT). In contrast, to the common two-stage implantation/annealing scheme of precipitate ensemble synthesis by ion beams, cluster formation took place at the implantation stage in our study, requiring no subsequent high-temperature annealing. The post-implantation microstructural examination revealed in the as-implanted thin foil an array of precipitates with diameters in the range of 3–30?nm. The precipitate number density distribution was found to depend on the foil thickness. The precipitate enrichment with both Al and O was confirmed by the energy-filtered TEM analysis. Judging from the electron diffraction pattern and high-resolution TEM analysis, the crystal lattice of precipitates corresponds to some cubic modification of aluminium-rich oxide or pure aluminium oxide. The precipitate lattice alignment with the host matrix was revealed for at least a part of precipitates. The analysis of APT data using cluster detection algorithm indicates the presence of local zones enriched in Al and O, even in those areas of as-implanted samples where no clusters were visible by TEM.     

退火温度对溅射铝膜结构与电性能的影响

 采用直流磁控溅射方法成功地制备了Al膜,研究了退火温度对Al膜表面形貌、晶体结构、应力、择优取向及反射率的影响。研究表明：不同退火温度的薄膜晶粒排布致密而光滑,均方根粗糙度小。XRD测试表明：不同温度退火的铝膜均成多晶状态,晶体结构为面心立方,退火温度升高到400 ℃时,Al膜的应力最小达0.78 GPa,薄膜平均晶粒尺寸由18.3 nm增加到25.9 nm;随着退火温度的升高,(200)晶面择优取向特性变好。薄膜紫外-红外反射率随着退火温度的升高而增大。     

Observation of dynamical effects in diffuse neutron scattering by the three-crystal spectrometer method

Anomalous angular distributions of the diffuse elastic neutron scattering intensity, which indicate a dynamical character of the scattering near a reciprocal-lattice site, are discovered for low-dislocation-density Ge crystals. Pis’ma Zh. éksp. Teor. Fiz. 63, No. 4, 237–240 (25 February 1996)     

Biaxial Orientation Mechanism of Drawn Natural Rubber. II. Quantitative Analysis of the Biaxial Orientation

Natural rubber film was prepared from triple centrifuged latex. The film was uniaxially drawn at room temperature and the induced crystalline orientation was quantitatively studied by wide angle X‐ray diffraction. The intensity distribution of 200 and 120 reflections confirmed that the induced crystals have a biaxial orientation with the c‐axis parallel to the draw direction. The orientation of the a‐axis was evaluated by using an orientation function of the (200) plane. The function (F ₂₀₀) indicated that the crystalline a‐axis is parallel to the film surface depending on the draw ratio and on positions in the film. The experimental results are possible to explain by shish‐kebab‐like crystallization developed from a highly oriented fibril. The secondary crystallization grows perpendicularly to the draw direction along the a‐axis. The population of the secondary crystals is controlled by an ellipsoidal free space. The shape of the ellipsoid is changed by the fibril distribution depending on width and thickness of the sample film. In this study, the quantitative biaxial orientation is consistently explained by the shish‐kebab‐like crystallization and the ellipsoidal free space.     

Carbon ion beam-induced variation in orientation of crystal planes of polycrystalline Zn nanowires

In the present work, polycrystalline Zn nanowires are synthesised within polymeric templates by the electrochemical deposition technique. Free-standing Zn nanowires with diameters 100, 200, 400 nm were synthesised on copper substrate acting as cathode, using this technique. The synthesised nanowires were irradiated with 40 MeV C⁴⁺ ion beam for various fluencies at Inter University Accelerator Centre, New Delhi, India. The effect of carbon ion beam on the grain size and preferred orientation of crystal planes of Zn nanowires were studied. The Rigaku X-ray diffractometer was used for X-ray diffraction (XRD) spectra of pristine and irradiated Zn nanowires. Post irradiation XRD analysis showed variation in the intensity of peaks, indicating the change in the orientation of crystal planes of the material. The preferred orientation of the crystal lattice planes in the polycrystalline material was found using texture analysis. To quantitatively investigate the degree of preferred orientations, the texture coefficients (TC) were calculated. The variation of TC was used to demonstrate the effect of irradiation on preferred orientation.     

Raman polarization analysis of highly crystalline polyethylene fiber

The complex orientation dependence in space of Raman active vibrations in the orthorhombic structure of polyethylene (PE) is discussed in terms of Raman tensor elements as intrinsic physical parameters of the lattice. Building upon the symmetry assignment of these vibrational modes, we systematically studied, from both theoretical and experimental viewpoints, the changes of polarized intensity for the A_g and the B_2g + B_3g vibrational modes with respect to PE molecular orientation. After explicitly expanding the Raman selection rules associated with the A_g and the B_2g + B_3g modes, introducing them into general expressions of the orientation distribution function, and validating them by means of a least‐square fitting procedure on experimental data, we compare here two mesostructural models for a highly crystallized and self‐aligned PE fiber structure. Stereological arguments are shown concerning the arrangement of orthorhombic fibrils in such a sample that unfold the correct values of five independent Raman tensor elements for orthorhombic PE. Copyright © 2010 John Wiley & Sons, Ltd.     

Alteration of the lattice constant and the composition of KCl and KBr crystals under macrogravity

In KCl and KBr crystals grown from supersaturated aqueous solutions under centrifuging (3g, 7g, and 12g) the lattice constant and the halogen content are altered significantly in comparison with original compounds, and the microhardness is increased by 1.5–2 fold. Fiz. Tverd. Tela (St. Petersburg) 39, 1792–1793 (October 1997)     

择优取向对X射线衍射积分强度的影响

概要地介绍了X射线衍射原理及积分强度公式,探讨了多晶粉末样品的择优取向现象,分析了择优取向对X射线衍射积分强度的影响,并提出了较正的方法。     

Revisit of the shape and orientation of precipitates with tetragonal transformation strains that minimise the elastic energy

ABSTRACT

The selection of the shape and orientation of precipitates with tetragonal misfit (transformation) strains that minimise the elastic energy is revisited. The complex map of preferred shapes suggested by Kaganova and Roitburd for inhomogeneous isotropic materials is extended to materials with cubic symmetry and for systems that compromise with the surface energy of close-packed planes. Several shape transitions are explained from the kinematics of precipitates with tetragonal transformation strains in solid matrices. Plate shaped precipitates are associated with minimum elastic energy in homogenous systems and for soft precipitates, in accordance with the theorem of Khachaturyan. We explain how compact shapes like rods and spheres arise when the matrix is softer than the precipitate. Analytic estimations are derived to determine the preferred shapes based on the difference between the elastic stiffness of the matrix and the precipitate. When the transformation strains differ in sign, they give rise to a large lattice rotation. This lattice rotation is necessary for the formation of twins by equivalent variants of the transformation strain.     

Raman spectroscopic investigations of natural jennite from Maroldsweisach,Bavaria, Germany

A full‐range pattern (100–3700 cm⁻¹) analysis of natural jennite was performed for the first time by Raman spectroscopy, applying a polarized laser at a wavelength of 532 nm. A prominent structural feature of jennite is the preferred orientation of Si‐tetrahedron and Ca‐octahedron chains parallel [010]. The latter ones are additionally coupled to H₂O molecules and OH groups. This arrangement leads to a strong dependence on orientation for the intensity ratios of mainly three different regions in the Raman spectra: 180–210, 950–1050 and 3100–3650 cm⁻¹. These sections can be assigned to Ca–O lattice vibrations, Q² Si–tetrahedron stretching and O–H vibrations of H₂O molecules and Ca–OH structures, respectively. Copyright © 2015 John Wiley & Sons, Ltd.     

RETRACTED ARTICLE: Quantum effects on translation and rotation of molecular chlorine in solid para-hydrogen

Structure and quantum effects of a Cl₂ molecule embedded in fcc and hcp para-hydrogen (pH₂) crystals are investigated in the zero-temperature limit. The interaction is modelled in terms of Cl₂–pH₂ and pH₂–pH₂ pair potentials from ab initio CCSD(T) and MP2 calculations. Translational and rotational motions of the molecules are described within three-dimensional anharmonic Einstein and Devonshire models, respectively, where the crystals are either treated as rigid or allowed to relax. The pH₂ molecules, as well as the heavier Cl₂ molecule, show large translational zero-point energies (ZPEs) and undergo large-amplitude translational motions. This gives rise to substantial reductions in the cohesive energies and expansions of the lattices, in agreement with experimental results for pure hydrogen crystals. The rotational dynamics of the Cl₂ impurity is restricted to small-amplitude librations, again with high librational ZPEs, which are described in terms of two-dimensional non-degenerate anharmonic oscillators. The lattice relaxation causes qualitative changes of the rotational energy surfaces, which finally favour librations around the crystallographic directions pointing towards the nearest neighbours, both for fcc and hcp lattices. Implications on the reactant orientation in the experimentally observed laser-induced chemical reaction, Cl + H₂ → HCl + H, are discussed.     

Magnetic properties of fcc (Co95Fe5)1-xAlx ribbons

Rapidly quenched (Co₉₅Fe₅)_1-xAl_x ribbons are investigated by X‐ray diffraction, magnetization, and Mössbauer effect measurements. A single fcc phase is obtained for all ribbons x ? 10 at.%. The lattice constant increases linearly with x and is discussed in connection with magnetic moment. The influence of Al substitution on both magnetization and Fe‐atom hyperfine field (H) is studied. At 296 K, the magnetization decreases linearly while H drops nonlinearly as x increases. Al substitution leads to substantial differences in iron hyperfine fields in bcc and fcc systems. Fe moment is perturbed differently by Al substitution in fcc (Co₉₅Fe₅)_1-xAl_x and bcc Fe–Al systems.     

Identification of cross-relaxation resonances of12B implanted in sc aluminum

Polarized¹²B nuclei were produced andrecoil implanted in single crystals of fcc aluminum. The boron decay asymmetry andrelaxation times were measured as a function of external magnetic field values andat different orientation angles of the crystal. To identify the resonances at certain field values in the¹²B depolarization in Al, a consistent theory based on the principle of a multi-spin system and Nuclear level-crossing has been developed. A unique identification of the resonances, based on the resonant interaction between boron andparticular pairs of aluminum neighbours, is perfectly possible. The strong dissipative coupling of the Al nuclei with the electron bath of the lattice hinders a straightforward interpretation of the resonance width anddepth.     

Iron content and temperature dependences of diffuse scattering in Ti–(50–x)Ni–xFe (6 ≤ x ≤ 10) alloys

Diffuse scatterings appearing in electron diffraction patterns of Ti–(50???x)Ni–xFe (x?=?6, 7, 8, 10, in at.%) alloys were investigated. In the alloys, martensitic (R-phase) transformation is suppressed down to 4.2 K, but the electrical resistivity exhibits a local minimum at T _min (210 K, 195 K, 180 K and 140 K for x?=?6, 7, 8, 10, respectively). The following results were obtained for all the alloys. Diffuse scattering appears below T _min and its intensity maximum is located at an incommensurate position of g?+??ζζ0?*, where g is a reciprocal lattice vector of the B2-phase. The value?ζ?at T _min is significantly smaller than 1/3 and increases with decreasing temperature; it decreases with increasing Fe content. The value of?ζ?at T _min agrees with the length of nesting vector obtained by a band calculation, suggesting that the diffuse scattering is caused by the nesting effect of the Fermi surface in the B2-type structure.