Optimization of preparative chromatographic separation of multiple rare earth elements

This work presents a method to optimize multi-product chromatographic systems with multiple objective functions. The system studied is a neodymium, samarium, europium, gadolinium mixture separated in an ion exchange chromatography step. A homogeneous Langmuir Mobile Phase Modified model is calibrated to fit the experiments, and then used to perform the optimization task. For the optimization a multi-objective Differential Evolution algorithm was used, with weighting based on relative value of the components to find optimal operation points along the Pareto front. The objectives of the Pareto front are weighted productivity and weighted yield with purity as an equality constraint. A prioritizing scheme based on relative values is applied for determining the pooling order. A simple rule of thumb for pooling strategy selection is presented. The multi-objective optimization gives a Pareto front which shows the rule of thumb, as a gap in one of the objective functions.     

Phase boundaries as agents of structural change in macromolecules

We model long rod-like molecules, such as DNA and coiled-coil proteins, as one-dimensional continua with a multi-well stored energy function. These molecules suffer a structural change in response to large forces, characterized by highly typical force-extension behavior. We assume that the structural change proceeds via a moving folded/unfolded interface, or phase boundary, that represents a jump in strain and is governed by the Abeyaratne–Knowles theory of phase transitions. We solve the governing equations using a finite difference method with moving nodes to represent phase boundaries. Our model can reproduce the experimental observations on the overstretching transition in DNA and coiled-coils and makes predictions for the speed at which the interface moves. We employ different types of kinetic relations to describe the mobility of the interface and show that this leads to different classes of experimentally observed force-extension curves. We make connections with several existing theories, experiments and simulation studies, thus demonstrating the effectiveness of the phase transitions-based approach in a biological setting.     

Mode III fracture of an arbitrary oriented crack in two dimensional functionally graded material

In this paper, a two dimensional functionally graded material (2D-FGM) under an anti-plane load with an internal crack is considered. The crack is oriented in an arbitrary direction. The material properties are assumed to vary exponentially in two planar directions. The problem is analyzed and solved by two different methods namely Fourier integral transforms with singular integral equation technique, and then by the finite element method. The effects of crack orientation, material non-homogeneity, and other parameters on the value of stress intensity factor (SIF) are studied. Finally, the obtained results for Mode III stress intensity factor of different methods are compared.     

Accurate 3-D finite element simulation of elastic wave propagation with the combination of explicit and implicit time-integration methods

One of the big issues in finite element solutions of wave propagation problems is the presence of spurious high-frequency oscillations that may lead to divergent results at mesh refinement. The paper deals with the extension of the new two-stage time-integration technique developed in our previous papers to the solution of wave propagation problems with explicit time-integration methods.The explicit central difference method is used for accurate time-integration of the semi-discrete system of elastodynamics at the stage of basic computations and allows spurious high-frequency oscillations. To filter these oscillations, pre- or/and post-processing (the filtering stage) is applied using a few time increments of the implicit time-continuous Galerkin method with large numerical dissipation.A special calibration procedure is used for the selection of the minimum necessary amount of numerical dissipation (in terms of a time increment) at the filtering stage. In contrast to existing approaches that use a time-integration method with the same dissipation (or artificial viscosity) for all time increments, the new technique yields accurate and non-oscillatory results for wave propagation problems without interaction between user and computer code. The solutions of 3-D wave propagation and impact problems show the effectiveness of the new approach.     

Fracture mechanics of steel plate under Joule heating analyzed by energy density criterion

In the electric-conductive material with fractures, the electric current and Joule heating will induce a local hot spot around the crack tip. By the finite element simulation, this phenomenon has been proved so that it can be applied to the fracture detection for the steel plate. As a result, the temperature variation near the fracture tip must be large enough so that the thermal sensing system can detect the hot spot at the fracture tip. It is necessary to apply large electric current on the steel plate to make obvious temperature variation. However, higher electric current will increase the driving force for the crack growth.     

The wave and vibratory power transmission in a finite L-shaped Mindlin plate with two simply supported opposite edges

In this paper,wave and vibratory power transmission in a finite L-shaped Mindlin plate with two simply supported opposite edges are investigated using the wave approach.The dynamic responses,active and reactive power flow in the finite plate are calculated by the Mindlin plate theory (MPT) and classic plate theory (CPT).To satisfy the boundary conditions and continuous conditions at the coupled junction of the finite L-shaped plate,the near-field and far-field waves are entirely contained in the wave approach.The in-plane longitudinal and shear waves are also considered.The results indicate that the vibratory power flow based on the MPT is different from that based on the CPT not only at high frequencies but also at low and medium frequencies.The influence of the plate thickness on the vibrational power flow is investigated.From the results it is seen that the shear and rotary inertia correction of the MPT can influence the active and reactive power at the junction of the L-shaped plate not only at high frequencies but also at low and medium frequencies.Furthermore,the effects of structural damping on the active and reactive power flow at the junction are also analyzed.     

A new approach for failure criterion for sheet metals

The interpretation of sheet forming simulations relies on failure criteria to define the limits of metal deformation. The common requirements for these criteria across a broad range of application areas have not yet been satisfied or fully identified, and a single criterion to satisfy all needs has not been developed. Areas where existing criteria appear to be lacking are in the comprehension of the effects of non-proportional loading, general non-planar and triaxial stress loading, and process and material mechanisms that differentiate between necking and fracture. This study was mainly motivated to provide an efficient method for the analysis of necking and fracture limits for sheet metals. In this paper, a model for the necking limit is combined with a model for the fracture limit in the principal stress space by employing a stress-based forming limit curve (FLC) and the maximum shear stress (MSS) criterion. A new metal failure criterion for in-plane isotropic metals is described, based on and validated by a set of critical experiments. This criterion also takes into consideration of the stress distribution through the thickness of the sheet metal to identify the mode of failure, including localized necking prior to fracture, surface cracking, and through-thickness fracture, with or without a preceding neck. The fracture model is also applied to the openability of a food can for AA 5182. The predicted results show very good agreement with the experimentally observed data.