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[Display omitted] The CSL/DSCL model for interfaces in crystalline materials offers a unified framework to study interface dislocations in phase boundaries and disconnections in grain boundaries. The model relies on the existence of a coincidence relation between the two lattices that meet at an interface. The model's ability to quantitatively predict the thermodynamics and kinetics of interfaces has been demonstrated for a limited set of symmetric tilt grain boundaries (STGBs) in cubic materials and twin boundaries. However, the lack of a general framework of interface defects prevents its applicability to arbitrary rational boundaries. In this paper, we present a mathematical framework based on the Smith normal form (SNF) for integer matrices to study the bicrystallography of rational phase and grain boundaries. One of the main results of the paper is a constructive proof of the invariance of the coincident site lattice (CSL) under discrete relative displacements of the parent lattices (of possibly different kind) by a displacement shift complete lattice (DSCL) vector. In addition, we obtain necessary and sufficient conditions on two lattices, related by not only rotations but also lattice distortions, for the existence of a coincidence relation. We first apply these results to explore coincidence relations in arbitrary phase boundaries, and study interface dislocations. In particular, we demonstrate the framework for a phase boundary formed by a strained hexagonal lattice and a square lattice. As a second application, we show how to enumerate all possible (geometric) disconnection modes in arbitrary rational grain boundaries, including glide and non-glide modes in both STGBs and asymmetric-tilt grain boundaries (ATGBs). The constructive nature of the framework lends itself to an algorithmic implementation based exclusively on integer matrix algebra to construct all interfaces that admit CSLs up to a prescribed size, and determine disconnection modes in grain boundaries. We demonstrate the use of SNF bicrystallography on selected bicrystal misorientation axes/angles in face-centered cubic (fcc), body-centered cubic (bcc), and hexagonal (hex) lattices. [ABSTRACT FROM AUTHOR]

The article presents a study which examines the structural and spatial considerations in the N,N'-Diacyl- and Bis(alkoxycarbonyl)bispidinone series. It discourses on the structural distinctiveness and involution to other compounds of the bispidinone framework which believed to have been eluded notice. It offers details which considers the experiments and procedures where the given compound is further elaborated.

The present paper describes an opto-electronic humidity sensor based on thin film of zinc oxide prepared by pulsed laser deposition method. Being optical in nature it gives electromagnetic disturbance-free monitoring. The sensing element is a right-angled isosceles prism with its base coated with ZnO thin film. Films have been characterized by XRD, SEM, and optical transmission. Film grown with substrate at room temperature is amorphous whereas that grown at elevated temperature is single crystalline with grain size 38.52 nm. Film deposited at room temperature is sensitive to humidity over a wide range i.e. 5–90RH% while that deposited at elevated temperature is found to be insensitive to humidity. The sensor shows better sensitivity for higher range of humidity. The response and recovery time of the sensor element have also been evaluated. This sensor configuration can be used for on-line applications and in-situ monitoring. [ABSTRACT FROM AUTHOR]

Interfaces are often believed to play a role in the mechanical behavior of mineralized biological and biomimetic materials. This motivates the micromechanical description of the elasticity and brittle failure of interfaces between crystals in a (dense) polycrystal, which serves as the skeleton of a porous material defined one observation scale above. Equilibrium and compatibility conditions, together with a suitable matrix-inclusion problem with a compliant interface, yield the homogenized elastic properties of the polycrystal, and of the porous material with polycrystalline solid phase. Incompressibility of single crystals guarantees finite shear stiffness of the polycrystal, even for vanishing interface stiffness, while increasing the latter generally leads to an increase of polycrystal shear stiffness. Corresponding elastic energy expressions give access to effective stresses representing the stress heterogeneities in the microstructures, which induce brittle failure. Thereby, Coulomb-type brittle failure of the crystalline interfaces implies Drucker–Prager-type (brittle, elastic limit-type) failure properties at the scale of the polycrystal. At the even higher scale of the porous material, high interfacial rigidities or low interfacial friction angles may result in closed elastic domains, indicating material failure even under hydrostatic pressure. This micromechanics model can satisfactorily reproduce the experimental strength data of different (brittle) hydroxyapatite biomaterials, across largely variable porosities. Thereby, the brittle failure criteria can be well approximated by micromechanically derived criteria referring to ductile solid matrices, both criteria being even identical if the solid matrix is incompressible. [ABSTRACT FROM AUTHOR]

Both the approach used and the progress made in the assignment of structure types to the crystal structures contained in the ICSD database are reported. Extending earlier work, an hierarchical set of criteria for the separation of isopointal structures into isoconfigurational structure types is used. It is shown how these criteria, which include the space group (number), Wyckoff sequence and Pearson symbol, c/ a ratio, β ranges, ANX formulae and, in certain cases, the necessary elements and forbidden elements, may be used to uniquely identify the representative structure types of the compounds contained in the ICSD database. [ABSTRACT FROM AUTHOR]

Abstract: The chemical potential of a curved interface contains a term that is proportional to the product of the interface curvature and the interface stiffness. In crystalline materials, the interface stiffness is a tensor. This paper examines several basic issues related to the properties of the interface stiffness, especially the determination of the interface stiffness in particular directions (i.e. the commonly used scalar form of the interface stiffness). Of the five parameters that describe an arbitrary grain boundary, only those describing the inclination are crucial for the scalar stiffness. We also examine the influence of crystal symmetry on the stiffness tensor for both free surfaces and grain boundaries. This results in substantial simplifications for cases in which interfaces possess mirror or rotational symmetries. An efficient method for determining the interface stiffness tensor using atomistic simulations is proposed. [Copyright &y& Elsevier]

Explores the accuracy of crystal plate theories for high-frequency vibrations in the range of the fundamental thickness shear mode. Derivations of plate theories using various series expansions of the thickness modes; Accuracy of plate equations; Comparison of frequency spectra obtained using Mindlin's first-order plate theory and the three-dimensional equations of motion; Summary and conclusion.