A relaxation-based approach to damage modeling

Common material models that take into account softening effects due to damage have the problem of ill-posed boundary value problems if no regularization is applied. This condition leads to a non-unique solution for the resulting algebraic system and a strong mesh dependence of the numerical results. A possible solution approach to prevent this problem is to apply regularization techniques that take into account the non-local behavior of the damage [1]. For this purpose a field function is often used to couple the local damage parameter to a non-local level, in which differences between the local and non-local parameter as well as the gradient of the non-local parameter can be penalized. In contrast, we present a novel approach [2] to regularization that no longer needs a non-local level but directly provides mesh-independent results. Due to the new variational approach we are also able to improve the calculation times and convergence behavior. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Compendium on the Principle of the Minimum of the Dissipation Potential for Non-Isothermal Processes

In this paper we present a compendium of the original paper “The Principle of the Minimum of the Dissipation Potential for Non-Isothermal Processes”, published in Continuum Mechanics and Thermodynamics [1]. There, a contribution to the methodology of material modeling was introduced by presenting a potential-based approach for non-isothermal processes. It was based on the principle of the minimum of the dissipation potential which was used previously only for isothermal material models. In contrast to the principle of maximum dissipation, the presented procedure resulted in mathematically simplified equations. Due to its potential character, the inclusion of constraints was very simple. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A micromechanical model for the transformation induced plasticity in polycrystalline steels

Due to the effect of transformation induced plasticity (TRIP) , TRIP-steels are very promising materials, e.g. for the automobile industry. The material behavior is characterized by very complex inner processes, namely phase transformation coupled with plastic deformation and kinematic hardening. We establish a micromechanical model which uses the volume fractions of the single phases, the plastic strain and the hardening parameter in every grain of the polycrystalline material as internal variables. Furthermore, we apply the Principle of the Minimum of the Dissipation Potential to derive the associated evolution equations. The use of a coupled dissipation functional and a combined Voigt/Reuss bound directly results in coupled evolution equations for the internal variables and in one combined yield function. Additionally, we show numerical results which prove our model's ability to give a first prediction of the TRIP-steels' complex material behavior. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Uber symmetrische Functionen von mehreren Reihen von Veränderlichen

Ohne Zusammenfassung     

Time delay enhancement in stimulated-Brillouin-scattering-based slow-light systems

We show a simple method of time delay enhancement in slow-light systems based on the effect of stimulated Brillouin scattering. The method is based on the reduction of the absolute Brillouin gain by a loss produced by an additional pump laser. With this method we achieved pulse delays of nearly 100 ns in a standard single-mode fiber. In the presented approach the delay or acceleration of optical signals is decoupled from their amplification or attenuation, which allows the adaptation of the pulse amplitudes to the given application.     

A thermo-mechanically coupled field model for shape memory alloys

The impressive properties of shape memory alloys are produced by means of solid-to-solid phase transformations where thermal effects play an important role. In this paper, we present a model for polycrystalline shape memory alloys which takes full thermo-mechanical coupling into account. Starting from the equations of the first and the second law of thermodynamics, we derive evolution equations for the volume fractions of the different martensitic variants and a related equation for heat conduction. A thermodynamic analysis allows to formulate a complete expression for the dissipation caused by phase transformation and heat flux. This allows to model the experimentally well-documented transformation fronts in tension tests by a finite element scheme without further assumptions. Additionally, the number of required model parameters is very small in comparison with phenomenological approaches. Numerical examples are presented which show a good agreement with experimental observations.     

ATP-independent control of autotransporter virulence protein transport via the folding properties of the secreted protein

Autotransporter (AT) proteins are the largest class of extracellular virulence proteins secreted from Gram-negative bacteria. The mechanism by which AT proteins cross the bacterial outer membrane (OM), in the absence of ATP or another external energy source, is unknown. Here we demonstrate a linear correlation between localized regions of stability (ΔG(folding)) in the mature virulence protein (the AT "passenger") and OM secretion efficiency. Destabilizing the C-terminal β-helical domain of a passenger reduced secretion efficiency. In contrast, destabilizing the globular N-terminal domain of a passenger produced a linearly correlated increase in secretion efficiency. Thus, C-terminal passenger stability facilitates OM secretion, whereas N-terminal stability hinders it. The contributions of regional passenger stability to OM secretion demonstrate a crucial role for the passenger itself in directing its secretion, suggesting a novel type of ATP-independent, folding-driven transporter.     

Solvent Suppression in High-Resolution 1H NMR Spectroscopy Using Conventional and Phase Alternated Continuous Wave Free Precession

Solvent suppression is frequently mandatory in ¹H high-resolution nuclear magnetic resonance (NMR), especially for those experiments designed for non-deuterated solvent, normally used in protein and in vivo analysis, and also in liquid chromatography-NMR. Here, simple pulse sequences, which are based on continuous wave free precession (CWFP), consisting of a train of pulses separated by a time interval $ T_{\text{p}} \ll T_{2}^{*} $ , is applied to suppress one or more solvent signals in ¹H high-resolution NMR experiments, because of its dependency on the offset frequency. The conventional CWFP pulse sequence, that uses pulses with the same phase and duration, introduces some phase anomaly in the Fourier-transformed spectrum. This problem is minimized when the pulses are applied with phase alternation by π/2 in relation to the preceding pulse. Some problems with signal intensity can also be minimized using a shorter pulse width. Both CWFP and phase alternated CWFP can be easily used to suppress two solvent signals simultaneously, just using the correct T _p value, that must be equal to the inverse of frequency difference (?ν) between both signals to be suppressed. After modifications, we could introduce the CWFP train into 2D routine pulse sequences.     

Development of Bicyclo[3.1.0]hexane-Based A3 Receptor Ligands: Closing the Gaps in the Structure–Affinity Relationships

The adenosine A₃ receptor is a promising target for treating and diagnosing inflammation and cancer. In this paper, a series of bicyclo[3.1.0]hexane-based nucleosides was synthesized and evaluated for their P1 receptor affinities in radioligand binding studies. The study focused on modifications at 1-, 2-, and 6-positions of the purine ring and variations of the 5′-position at the bicyclo[3.1.0]hexane moiety, closing existing gaps in the structure–affinity relationships. The most potent derivative 30 displayed moderate A₃AR affinity (Ki of 0.38 μM) and high A₃R selectivity. A subset of compounds varied at 5′-position was further evaluated in functional P2Y₁R assays, displaying no off-target activity.     

The principle of the minimum of the dissipation potential for non-isothermal processes

In this paper, we contribute to the methodology of material modeling by presenting a potential-based approach for non-isothermal inelastic processes. It is based on the principle of the minimum of the dissipation potential which was used previously only in the isothermal context. In contrast to the principle of maximum dissipation, the presented procedure results in mathematically simplified equations. Due to its variational character, the inclusion of constraints is very simple. After derivation of our method, we use the examples of non-isothermal perfect plasticity and shape memory alloys for demonstration of the validity and performance of the concept.