In Situ Characterization of Polymorphic Forms: The Potential of Raman Techniques

The use of hot-stage Raman microscopy — the direct coupling of Raman spectroscopy and thermomicroscopy — is demonstrated for the drug substances paracetamol and lufenuron.Paracetamol is a well-known analgesic and antipyretic drug, for which three polymorphic forms are currently known. Lufenuron is a benzoylphenyl urea derivative that has been classified as a chitin synthesis inhibitor. It is indicated for the use in pets for the prevention and control of flea population and used in crop protection for the control of Lepidoptera, Western Flower thrips and rust mites. It is the first time that the polymorphism of lufenuron is addressed. All known modifications of paracetamol and lufenuron were produced and identified by hot-stage Raman microscopy. A close correlation of thermal and spectroscopic information was achieved by this combination of techniques.For lufenuron a series of new polymorphic forms were found and characterized. Raman spectroscopy allowed to identify the thermodynamic stable form A as the one which is marketed in tablets.This revised version was published online in November 2005 with corrections to the Cover Date.     

Space-Time Meshfree Collocation Method for PDEs

An innovative Space-Time Meshfree Collocation Method (STMCM) for solving systems of nonlinear ordinary and partial differential equations by a consistent discretization in both space and time is proposed as an alternative to established mesh-based methods. The STMCM belongs to the class of truly meshfree methods, i.e. the methods which do not have any underlying mesh, but work on a set of nodes only, without an a priori node-to-node connectivity. A regularization technique to overcome the singularity-by-construction and to compute all necessary derivatives of the kernel functions is presented. The method combines the simplicity and straightforwardness of the strong-form computational techniques with the advantages of meshfree methods over the classical ones, especially for coupled engineering problems involving moving interfaces. The key features of the proposed approach are: (i) no need to generate a mesh, (ii) simplified imposition of boundary conditions, (iii) no need to evaluate integral forms of governing equations, (iv) applicability to complex irregularly-shaped domains. The proposed STMCM is applied to linear and nonlinear ordinary and partial differential equations of different types and its accuracy and convergence properties are studied. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Rank annihilation correction for the amendment of instrumental inconsistencies

The globalisation of the analysis of a series of individual measurements often results in more robust and reliable outcomes. However, instrumental drifts that can occur between individual measurements destroy the ideal data structure and thus the advantages. A method based on rank annihilation factor analysis (RAFA) is introduced for the correction of several types of instrumental inconsistencies. It can be applied to many series of bilinear datasets. Experimental examples discussed in this paper comprise the successful correction of non-uniform retention time drifts in chromatography due to temperature or pressure changes, wavelength shifts in IR spectroscopy in an industrial control situation, and background absorption shifts in UV-VIS spectroscopy applied to equilibrium investigations.     

Strongly-coupled modelling and analysis of energy harvesting devices

A monolithic approach is proposed that provides simultaneous modelling and analysis of the harvester, which involves surface-coupled fluid-structure interaction, volume-coupled electro- mechanics and a controlling energy harvesting circuit for applications in energy harvesting. A space-time finite element approximation is used for numerical solution of the weighted residual form of the governing equations of the flow-driven piezoelectric energy harvesting device. This method enables time-domain investigation of different types of structures (plate, shells) subject to exterior/interior flow with varying cross sections, material compositions, and attached electrical circuits with respect to the electrical power output generated. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Finite element methods for strongly-coupled systems of fluid-structure interaction with application to granular flow in silos

A monolithic approach to fluid-structure interactions based on the space-time finite element method is presented to investigate stress states in silos filled with granular material during discharge. The thin-walled silo-shell is discretized by continuum based, mixed-hybrid finite elements, whereas the flowing granular material is described by an enhanced viscoplastic non-Newtonian fluid model. To adapt the mesh nodes of the fluid domain to the structural deformations, a mesh-moving scheme using a pseudo-solid is applied. The level-set-method involving XFEM is used, including a 4D split algorithm for the space-time finite elements, in order to describe free surfaces. The method is applied to 3D silo discharges. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Numerical model for tsunami generation by subaerial landslides

A discretization method based on stabilized space–time finite elements is presented for the numerical analysis of three–fluid flows of immiscible and incompressible fluids. Signed distance functions are used to assign the material properties to each spatial point in the domain. The motion and the change in topology of fluid–fluid interfaces are implicitly described by the level–set method. Strong and weak discontinuities in the fields of the physical state variables are captured by locally enriched approximations based on the partition–of–unity concept. An interior penalty method enforces interfacial conservation of mass and momentum. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

具有非紧半群的脉冲发展方程非局部问题mild解的存在性

研究Banach空间中一类具有非紧半群的半线性脉冲发展方程非局部问题.在较弱的非紧性测度条件下获得了其mild解的存在性,完善和推广了已有的结论.最后,给出了一个例子说明我们的抽象结果。更多还原