{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Kinetic analysis of magnesium aluminate spinel formation: Effect of MgO:Al2O3 ratio and titania dopant

The mechanistic pathway of MgO-Al₂O₃ reaction in solid state to form MgAl₂O₄ spinel was investigated to correlate the kinetic parameters with ratio of reactants (MgO:Al₂O₃) and with the presence of a doping agent, TiO₂. The time-temperature-expansion data of oxide compacts was analyzed using several model free analyses and model based (linear and non-linear) kinetic algorithms. These indicated that spinel formation process can be best described by single step with n-dimensional Avrami equation for every MgO:Al₂O₃ ratio, irrespective of titania dopant. The activation energy (E_a) of the process was proportional to % spinel formed in each system and validated with quantitative XRD analysis. The higher value of Avrami coefficient (n) in 90 wt% Al₂O₃ compositions has been explained with geometric considerations of powder packing. Incorporations of 1% TiO₂ in the MgO: Al₂O₃ oxide compact did not markedly affect the reaction model, frequency factor and Activation energy.     

Analytic models for the latency and steady-state throughput of TCP Tahoe, Reno, and SACK

Continuing the process of improvements made to TCP through the addition of new algorithms in Tahoe and Reno, TCP SACK aims to provide robustness to TCP in the presence of multiple losses from the same window. In this paper we present analytic models to estimate the latency and steady-state throughput of TCP Tahoe, Reno, and SACK and validate our models using both simulations and TCP traces collected from the Internet. In addition to being the first models for the latency of finite Tahoe and SACK flows, our model for the latency of TCP Reno gives a more accurate estimation of the transfer times than existing models. The improved accuracy is partly due to a more accurate modeling of the timeouts, evolution of cwnd during slow start and the delayed ACK timer. Our models also show that, under the losses introduced by the droptail queues which dominate most routers in the Internet, current implementations of SACK can fail to provide adequate protection against timeouts and a loss of roughly more than half the packets in a round will lead to timeouts. We also show that with independent losses SACK performs better than Tahoe and Reno and, as losses become correlated, Tahoe can outperform both Reno and SACK.     

Crystal plasticity modeling of deformation and creep in polycrystalline Ti-6242

This paper develops an experimentally validated computational model based on crystal plasticity for the analysis of two-phase α/β Ti-6242 polycrystalline alloys. A rate-dependent elastic-crystal plasticity model is incorporated in this model to accommodate anisotropy in material behavior and tension-compression asymmetry inherent to this alloy. A combination of microtesting, orientation imaging microscopy, computational simulations, and minimization process, involving genetic algorithms, is implemented in this study for careful characterization and calibration of the material parameters. Size effects are considered in this analysis through a simple scaling process. A homogenized equivalent model of the primary α with transformed β colonies is developed for incorporation in the Ti-6242 FE model. The polycrystalline Ti-6242 computational model incorporates accurate phase volume fractions, as well as statistically equivalent orientation distributions to those observed in the orientation imaging microscopy scans. The effects of orientation, misorientations, and microtexture distributions are investigated through simulations by this computational model. The model is used to simulate constant strain rate and creep tests in compression and tension, and the results are compared with experiments. The effects of microstructure and creep-induced load-shedding on the localization of microstructural stresses and strains are studied for potential crack initiation criteria.     

Inference for pth‐order random coefficient integer‐valued autoregressive processes

Abstract. A pth‐order random coefficient integer‐valued autoregressive [RCINAR(p)] model is proposed for count data. Stationarity and ergodicity properties are established. Maximum likelihood, conditional least squares, modified quasi‐likelihood and generalized method of moments are used to estimate the model parameters. Asymptotic properties of the estimators are derived. Simulation results on the comparison of the estimators are reported. The models are applied to two real data sets.     

An Overview of Next-Generation Androgen Receptor-Targeted Therapeutics in Development for the Treatment of Prostate Cancer

Traditional endocrine therapy for prostate cancer (PCa) has been directed at suppression of the androgen receptor (AR) signaling axis since Huggins et al. discovered that diethylstilbestrol (DES; an estrogen) produced chemical castration and PCa tumor regression. Androgen deprivation therapy (ADT) still remains the first-line PCa therapy. Insufficiency of ADT over time leads to castration-resistant PCa (CRPC) in which the AR axis is still active, despite castrate levels of circulating androgens. Despite the approval and use of multiple generations of competitive AR antagonists (antiandrogens), antiandrogen resistance emerges rapidly in CRPC due to several mechanisms, mostly converging in the AR axis. Recent evidence from multiple groups have defined noncompetitive or noncanonical direct binding sites on AR that can be targeted to inhibit the AR axis. This review discusses new developments in the PCa treatment paradigm that includes the next-generation molecules to noncanonical sites, proteolysis targeting chimera (PROTAC), or noncanonical N-terminal domain (NTD)-binding of selective AR degraders (SARDs). A few lead compounds targeting each of these novel noncanonical sites or with SARD activity are discussed. Many of these ligands are still in preclinical development, and a few early clinical leads have emerged, but successful late-stage clinical data are still lacking. The breadth and diversity of targets provide hope that optimized noncanonical inhibitors and/or SARDs will be able to overcome antiandrogen-resistant CRPC.     

Effect of organic modifiers on dynamic and static nanomechanical properties and crystallinity of intercalated clay–polycaprolactam nanocomposites

Polymer clay nanocomposites (PCN) of Polyamide6 and sodium montmorillonite are prepared using different organic modifiers (12‐aminolauric acid, n‐dodecylamine, and 1,12‐diaminododecane) to study effect of organic modifiers on structure and nanomechanical properties of PCN. Using X‐ray diffraction and differential scanning calorimetry, crystalline nature of PCNs are evaluated. Nanoscale viscoelastic properties of PCNs are evaluated using nanodynamic mechanical analyzer (NanoDMA). Nanoscale elastic modulus and hardness of PCNs are evaluated using nanoindenter. PCNs show enhancement in elastic modulus, storage modulus, loss modulus, and loss factor by maximum amount of 62.88%, 56.38%, 145.74%, and 71.43%, respectively, and decrease in percentage crystallinity by 16.52% compared to pure polymer. This result indicates that organic modifiers have effect on crystallinity and nanomechanical properties of PCN. To evaluate effect of clay loading on nanomechanical properties of PCN, PCN containing 12‐aminolauric acid is synthesized with different weight percent (3, 6, and 9% of weight of polymer) of organically modified montmorillonite (OMMT), which shows that nanomechanical properties of PCN improves with increase in clay loading. Our study reveals that change in crystallinity of polymer in PCN may have role in the enhancement of nanomechanical properties of PCNs in comparison to pristine polymer. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

Generalizing Multi-agent Graph Exploration Techniques

International Journal of Control, Automation and Systems - The system of multiple agents working in coordination for a given task has several advantages on faster completion, fault-tolerance, etc....     

Topography of the flank wear surface

In many applications, topography represents the main external features of a surface. This paper describes the topography of the flank wear surface and also presents the relationship between the maximum flank wear and the topography parameters (roughness parameters) of the flank wear surface during the turning operation. A modern CNC lathe machine (Okuma LH35-N) was used for the machine turning operation. Three-dimensional surface roughness parameters of the flank wear surface were measured by a surface texture instrument (from Talysurf series) using surface topography software (Talymap). Based on the resulting experimental data, it is found that as the flank wear increases, the roughness parameters (sR_a, sR_q, and sR_t) on the flank surface increase significantly. The greater the roughness value of the flank wear surface, the higher the friction of the tool on the workpiece and the greater the heat generation that will occur, thus ultimately causing tool failure. On the other hand, positive skewness (sR_sk) indicates the presence of a small number of spikes on the flank surface of the cutting tool, which could quickly wear off during the machining process.