Efficient and accurate two-scale simulation of non-linear heterogeneous microstructures

This work is concerned with the development of an efficient two-scale numerical scheme for the prediction of the local and effective mechanical response of heterogeneous materials with non-linear constitutive behavior. In order to ensure both, accurate micromechanical fields and feasible overall CPU-times, an efficient but rather simple solution scheme is proposed. Its capabilities are demonstrated using the FE-FFT method [2,3] for the solution of simple two-scale problems. As an example, two-dimensional polycrystalline microstructures with an elasto-viscoplastic constitutive law are considered. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Integral equation formulation for buoyancy-driven convection problems

An integral equation formulation for buoyancy-driven convection problems is developed and illustrated. Buoyancy-driven convection in a bounded cylindrical geometry with a free surface is studied for a range of aspect ratios and Nusselt numbers. The critical Rayleigh number, the nature of the cellular motion, and the heat transfer enhancement are computed using linear theory. Green's functions are used to convert the linear problem into linear Fredholm integral equations. Theorems are proved which establish the properties of the eigenvalues and eigenfunctions of the linear integral operator which appears in these equations.     

Continuum thermodynamic formulation of models for electromagnetic thermoinelastic solids with application in electromagnetic metal forming

The purpose of this work is the formulation and application of a continuum thermodynamic approach to the phenomenological modeling of a class of engineering materials which can be dynamically formed using strong magnetic fields. This is carried out in the framework of a thermodynamic, internal-variable-based formulation in which the deformation, temperature and magnetic fields are in general coupled. This coupling takes the form of the Lorentz force as an additional supply of momentum, and the electromotive power as an additional supply of energy, in the material. In the current approach, the basic thermomechanical field relations for mass, momentum and moment of momentum are obtained from the total energy balance via invariance, and completed by Maxwells field equations. The constitutive formulation is based on the exploitation of the Müller-Liu entropy principle, here for the case of isotropic thermoelastic, viscoplastic material behaviour. The resulting reduced constitutive and field relations and restrictions are then applied to the modeling and simulation of high-speed electromagnetic forming of metal tubes and sheet metal. In this context, scaling arguments show that, over the relevant length- and timescales of engineering interest, the evolution of the magnetic field is diffusive in nature, and thermal conduction is negligible. Comparison of the simulation and experimental results for the final sheet metal form shows very good agreement.Received: 16 March 2004, Accepted: 6 May 2004, Published online: 17 September 2004PACS: 46.05. + b, 46.25.Hf, 46.35 + z Correspondence to: B. Svendsen     

Biological N Removal from Wastes Generated from Amine-Based CO2 Capture: Case Monoethanolamine

Large-scale amine-based CO₂ capture will generate waste containing large amounts of ammonia, in addition to contaminants such as the actual amine as well as degradation products thereof. Monoethanolamine (MEA) has been a dominant amine applied so far in this context. This study reveals how biological N removal can be achieved even in systems heavily contaminated by MEA in post- as well as pre-denitrification treatment systems, elucidating the rate-limiting factors of nitrification as well as aerobic and denitrifying biodegradation of MEA. The hydrolysis of MEA to ammonia readily occurred both in post- and pre-denitrification treatment systems with a hydraulic retention time of 7 h. MEA removal was ≥99?±?1 % and total nitrogen removal 77?±?10 % in both treatment systems. This study clearly demonstrates the advantage of pre-denitrification over post-denitrification for achieving biological nitrogen removal from MEA-contaminated effluents. Besides the removal of MEA, the removal efficiency of total nitrogen as well as organic matter was high without additional carbon source supplied.     

EFFECT OF SURFACE ENERGY ON DISLOCATION-INDUCED FIELD IN HALF-SPACE WITH APPLICATION TO THIN FILM-SUBSTRATE SYSTEMS

In this work the elastic field of an edge dislocation in a half-space with the effect of surface energy has been obtained. The elastic field is then used to study the image force on the dislocation, the critical thickness for dislocation generation in epitaxial thin films with strain mismatch and the yielding strength of thin films on substrates. The results show that the image forces on the dislocation deviate from the conventional solutions when the distance of the dislocation from the free surface is smaller than several times of the characteristic length. Also due to the effect of surface energy, the critical thickness for dislocation generation is smaller than that predicted by the conventional elastic solutions and the extent of the deviation depends on the magnitude of mismatch strain. In contrast, the effect of surface energy on the yielding strength for many practical thin films can be neglected except for some soft ones where the characteristic length is comparable to the thickness.     

On the modelling of anisotropic elastic and inelastic material behaviour at large deformation

The purpose of this work is the formulation and discussion of an approach to the modelling of anisotropic elastic and inelastic material behaviour at large deformation. This is done in the framework of a thermodynamic, internal-variable-based formulation for such a behaviour. In particular, the formulation pursued here is based on a model for plastic or inelastic deformation as a transformation of local reference configuration for each material element. This represents a slight generalization of its modelling as an elastic material isomorphism pursued in earlier work, allowing one in particular to incorporate the effects of isotropic continuum damage directly into the formulation. As for the remaining deformation- and stress-like internal variables of the formulation, these are modelled in a fashion formally analogous to so-called structure tensors. On this basis, it is shown in particular that, while neither the Mandel nor back stress is generally so, the stress measure thermodynamically conjugate to the plastic “velocity gradient”, containing the difference of these two stress measures, is always symmetric with respect to the Euclidean metric, i.e., even in the case of classical or induced anisotropic elastic or inelastic material behaviour. Further, in the context of the assumption that the intermediate configuration is materially uniform, it is shown that the stress measure thermodynamically conjugate to the plastic velocity gradient is directly related to the Eshelby stress. Finally, the approach is applied to the formulation of metal plasticity with isotropic kinematic hardening.     

A thermodynamic formulation of the equations of motion and buoyancy frequency for Earth's fluid outer core

This work presents a precise formulation of the balance and constitutive relations appropriate to the modeling of the motion of the fluid outer core, including a full thermodynamic analysis and derivation of the buoyancy frequency, its role in the equations of motion for the fluid outer core, and the dependence of this equation on the thermodynamic state of the outer core. It is shown that the equation of motion is controlled by a single parameter, the buoyancy frequency. Its definition is general, so as to include also thermodynamic effects in various forms. The dependence on concentration or entropy-gradients is of importance for motions on longer time scales but also influences core undertones, the oscillations of the Earth's outer core, in regions of strong concentration gradients. By appropriate scaling a variety of different approximations arise from this formulation using the thermodynamic definiton of the buoyancy frequency. Special interest is put on the scaling for the outer core eigenmodes yielding consistent formulations for the Boussinesq- and the subseismic approximation.     

Tacamine,the first example of a new class of indole alkaloids

From the leaves of Tabernaemontana eglandulosa a new alkaloid was isolated, which was assigned structure $\text{1}$ on the basis of speetroscopic evidence.     

Derivatives and reactions of glutacondialdehyde V : The crystal and molecular structure of 5-hydroxy-trans-2, trans-4-pentadienal acetate. The charge distribution in the glutacondialdehyde anion

The structure of 5-hydroxy-trans-2, trans-4-pentadienal acetate has been determined, using three-dimensional diffractometercollected X-ray data. The compound has the all-trans configuration with the atoms C-1 to C-5 in a plane. The charge distribution in the acetate and in the glutacondialdehyde anion have been calculated using the CNDO/2 approximation. In both compounds higher negative charges were found on carbon atoms C-2 and C-4 than on C-1, C-3 and C-5.     

Inverse error propagation and model identification for coupled dynamic problems with application to electromagnetic metal forming

The purpose of this work is the development and application of strategies to identify material model parameters for metals at high strain-rates using data obtained from high-speed electromagnetic metal forming. To this end, a staggered algorithm for the finite-element-based numerical solution of the coupled electromagnetic-mechanical boundary-value problem has been developed based on mixed Eulerian–Lagrangian multigrid methods. On this basis, the parameter determination together with a sensitivity analysis and error estimation are carried out. After verifying the validity of this approach using synthetic data sets, it is applied to the identification of material parameters using experimental results from electromagnetic tube forming.