A meshless adaptive multiscale method for fracture

The paper presents a multiscale method for crack propagation. The coarse region is modelled by the differential reproducing kernel particle method. Fracture in the coarse scale region is modelled with the Phantom node method. A molecular statics approach is employed in the fine scale where crack propagation is modelled naturally by breaking of bonds. The triangular lattice corresponds to the lattice structure of the (111) plane of an FCC crystal in the fine scale region. The Lennard-Jones potential is used to model the atom-atom interactions. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively refined and coarsened as the crack propagates. The centro symmetry parameter is used to detect the crack tip location. The method is implemented in two dimensions. The results are compared to pure atomistic simulations and show excellent agreement. (C) 2014 Elsevier B. V. All rights reserved.

Implicit scheme for meshless compressible Euler solver

In this paper, an implicit scheme is presented for a meshless compressible Euler solver based on the Least Square Kinetic Upwind Method (LSKUM). The Jameson and Yoon's split flux Jacobians formulation is very popular in finite volume methodology, which leads to a scalar diagonal dominant matrix for an efficient implicit procedure (Jameson & Yoon, 1987). However, this approach leads to a block diagonal matrix when applied to the LSKUM meshless method. The above split flux Jacobian formulation, along with a matrix-free approach, has been adopted to obtain a diagonally dominant, robust and cheap implicit time integration scheme. The efficacy of the scheme is demonstrated by computing 2D flow past a NACA 0012 airfoil under subsonic, transonic and supersonic flow conditions. The results obtained are compared with available experiments and other reliable computational fluid dynamics (CFD) results. The present implicit formulation shows good convergence acceleration over the RK4 explicit procedure. Further, the accuracy and robustness of the scheme in 3D is demonstrated by computing the flow past an ONERA M6 wing and a clipped delta wing with aileron deflection. The computed results show good agreement with wind tunnel experiments and other CFD computations.

A queuing approach for inventory planning with batch ordering in multi-echelon supply chains

This paper presents stylized models for conducting performance analysis of the manufacturing supply chain network (SCN) in a stochastic setting for batch ordering. We use queueing models to capture the behavior of SCN. The analysis is clubbed with an inventory optimization model, which can be used for designing inventory policies . In the first case, we model one manufacturer with one warehouse, which supplies to various retailers. We determine the optimal inventory level at the warehouse that minimizes total expected cost of carrying inventory, back order cost associated with serving orders in the backlog queue, and ordering cost. In the second model we impose service level constraint in terms of fill rate (probability an order is filled from stock at warehouse), assuming that customers do not balk from the system. We present several numerical examples to illustrate the model and to illustrate its various features. In the third case, we extend the model to a three-echelon inventory model which explicitly considers the logistics process.

Spin populations in one-dimensional alternant spin systems: A theoretical approach

Spin-density maps, deduced from polarized neutron diffraction experiments, for both the pair and chain compounds of the system Mn2+Cu2+ have been reported recently. These results have motivated us to investigate theoretically the spin populations in such alternant mixed-spin systems. In this paper, we report our studies on the one-dimensional ferrimagnetic systems (S-A,S-B)(N) where hi is the number of AB pairs. We have considered all cases in which the spin Sri takes on allowed values in the range I to 7/2 while the spin S-B is held fixed at 1/2. The theoretical studies have been carried out on the isotropic Heisenberg model, using the density matrix renormalization group method. The effect of the magnitude of the larger spin SA On the quantum fluctuations in both A and B sublattices has been studied as a function of the system size N. We have investigated systems with both periodic and open boundary conditions, the latter with a view to understanding end-of-chain effects. The spin populations have been followed as a function of temperature as well as an applied magnetic field. High-magnetic fields are found to lead to interesting re-entrant behavior. The ratio of spin populations P-A-P-B is not sensitive to temperature at low temperatures.

Synthesis of novel poly[(2,5-dimethoxy-p-phenylene)vinylene] precursors having two eliminatable groups: An approach for the control of conjugation length

Poly[(2,5-dimethoxy-p-phenylene)vinylene] (DMPPV) of varying conjugation length was synthesized by selective elimination of organic soluble precursor polymers that contained two eliminatable groups, namely, methoxy and acetate groups. These precursor copolymers were in turn synthesized by competitive nucleophilic substitution of the sulfonium polyelectrolyte precursor (generated by the standard Wessling route) using methanol and sodium acetate in acetic acid. The composition of the precursor copolymer, in terms of the relative amounts of methoxy and acetate groups, was controlled by varying the composition of the reaction mixture during nucleophilic substitution. Thermal elimination of these precursor copolymers at 250 degrees C, yielded partially conjugated polymers, whose color varied from light yellow to deep red. FT-IR studies confirmed that, while essentially all the acetate groups were eliminated, the methoxy groups were intact and caused the interruption in conjugation. Preliminary photoluminescence studies of the partially eliminated DMPPV samples showed a gradual shift in the emission maximum from 498 to 598 nm with increasing conjugation lengths, suggesting that the color of LED devices fabricated from such polymers can, in principle, be fine-tuned.

Reservoir Operation for Hydropower Optimization: A Chance-Constrained Approach

This paper presents a chance-constrained linear programming formulation for reservoir operation of a multipurpose reservoir. The release policy is defined by a chance constraint that the probability of irrigation release in any period equalling or exceeding the irrigation demand is at least equal to a specified value P (called reliability level). The model determines the maximum annual hydropower produced while meeting the irrigation demand at a specified reliability level. The model considers variation in reservoir water level elevation and also the operating range within which the turbine operates. A linear approximation for nonlinear power production function is assumed and the solution obtained within a specified tolerance limit. The inflow into the reservoir is considered random. The chance constraint is converted into its deterministic equivalent using a linear decision rule and inflow probability distribution. The model application is demonstrated through a case study.

Liquefaction And Pore Water Pressure Generation In Sand - A Cyclic Strain Approach

This paper presents the results of laboratory investigation carried out on Ahmedabad sand on the liquefaction and pore water pressure generation during strain controled cyclic loading. Laboratory experiments were carried out on representative natural sand samples (base sand) collected from earthquake-affected area of Ahmedabad City of Gujarat State in India. A series of strain controled cyclic triaxial tests were carried out on isotropically compressed samples to study the influence of different parameters such as shear strain amplitude, initial effective confining pressure, relative density and percentage of non-plastic fines on the behavior of liquefaction and pore water pressure generation. It has been observed from the laboratory investigation that the potential for liquefaction of the sandy soils depends on the shear strain amplitude, initial relative density, initial effective confining pressure and non-plastic fines. In addition, an empirical relationship between pore pressure ratio and cycle ratio independent of the number of cycles of loading, relative density, confining pressure, amplitude of shear strain and non-plastic fines has been proposed.

Immunochemical approach to the mapping of an assembled epitope of human chorionic gonadotropin: Proximity of CTP-alpha to the receptor binding region of the beta-subunit

A single-step solid-phase RIA (SS-SPRIA) developed in our laboratory using hybridoma culture supernatants has been utilised for the quantitation of epitope-paratope interactions. Using SS-SPRIA as a quantitative tool for the assessment of epitope stability, it was found that several assembled epitopes of human chorionic gonadotropin (hCG) are differentially stable to proteolysis and chemical modification. Based on these observations an approach has been developed for identifying the amino acid residues constituting an epitopic region. This approach has now been used to map an assembled epitope at/near the receptor binding region of the hormone. The mapped site forms a part of the seat belt region and the cystine knot region (C34-C38-C88-C90-H106). The carboxy terminal region of the alpha-subunit forms a part of the epitope indicating its proximity to the receptor binding region. These results are in agreement with the reported receptor binding region identified through other approaches and the X-ray crystal structure of hCG.

Axially Loaded Timoshenko Rotors From A Prestressed Continuum Approach

We consider an axially loaded Timoshenko rotor rotating at a constant speed and derive its governing equations from a continuum viewpoint. The primary aim of this paper is to understand the source and role of gyroscopic terms, when the rotor is viewed not as a Timoshenko beam but as a genuine 3D continuum. We offer the primary insight that macroscopically observed gyroscopic terms may also, quite equivalently, be viewed as external manifestations of internally existing spin-induced prestresses at the continuum level. To demonstrate this idea with an analytical example (the Timoshenko rotor), we have studied the reliable equations of Choi et al. (Journal of Vibration and Acoustics, 114, 1992, 249-259). Using a straightforward application of our insight in the framework of nonlinear elasticity, we obtain equations that exactly match Choi et al. for the case with no axial load. For the case of axial preload, our straightforward formulation leads to a slightly different set of equations that have negligible numerical consequence for solid rotors. However, we offer a macroscopic, intuitive, justification for modifying our formulation so as to obtain the exact equations of Choi et al. with the axial load included.

Enantiospecific approach to the tricyclic core structure of tricycloillicinone, ialibinones, and takaneones via ring-closing metathesis reaction

Enantiospecific synthesis of the tricyclic core structure present in the biologically active natural products tricycloillicinone, ialibinones, and takaneones, starting from the readily available campholenaldehyde employing a transannular RCM reaction as the key step, has been accomplished.