A Monte Carlo simulation study of the mechanical and conformational properties of networks of helical polymers. I. General concepts

We study the mechanical and conformational properties of networks of helical polymers with a combination of Monte Carlo simulations based on the Wang-Landau algorithm and the three-chain model. We find that the stress-strain behavior of these networks has novel features not observed in typical networks made of synthetic polymers. In particular, we find that as these networks are stretched they first strengthen, then soften and finally strengthen again. This non-monotonic behavior of the stress correlates with the one of the helical content and is rationalized by the elongation-induced formation and melting of the helical structure of the polymer. We complement these results with a study of other conformational properties of the polymer strands that clarify the molecular mechanisms behind the mechanical behavior of these networks. Finally, we present a qualitative comparison of some of our results with the theoretical ones recently reported by Kutter and Terentjev.     

A benchmark on the calculation of kinetic parameters based on reactivity effect experiments in the CROCUS reactor

Measurements in the CROCUS reactor at EPFL, Lausanne, are reported for the critical water level and the inverse reactor period for several different sets of delayed supercritical conditions. The experimental configurations were also calculated by four different calculation methods. For each of the supercritical configurations, the absolute reactivity value has been determined in two different ways, viz.: (i) through direct comparison of the multiplication factor obtained employing a given calculation method with the corresponding value for the critical case (calculated reactivity: ρ_calc); (ii) by application of the inhour equation using the kinetic parameters obtained for the critical configuration and the measured inverse reactor period (measured reactivity: ρ_meas). The calculated multiplication factors for the reference critical configuration, as well as ρ_calc for the supercritical cases, are found to be in good agreement. However, the values of ρ_meas produced by two of the applied calculation methods differ appreciably from the corresponding ρ_calc values, clearly indicating deficiencies in the kinetic parameters obtained from these methods.     

Fatigue crack initiation and propagation of binder-treated powder metallurgy steels

Many of the targeted applications for powder-metallurgy materials, particularly in the automotive industry, undergo cyclic loading. It is, therefore, essential to examine the fatigue mechanisms in these materials. The mechanisms of fatigue-crack initiation and propagation in ferrous powder-metallurgy components have been investigated. The fatigue mechanisms are controlled primarily by the inherent porosity present in these materials. Since most, if not all, fatigue cracks initiate and propagate at the specimen surface, surface replication was used to determine the role of surface porosity in relation to fatigue behavior. Surface replication provides detailed information on both initiation sites and on the propagation path of fatigue cracks. The effect of microstructural features such as pore size and pore shape, as well as the heterogeneous microstructure on crack deflection, was examined and is discussed. Fracture surfaces were examined to elucidate a mechanistic understanding of fatigue processes in these materials.     

Microstructure-based modeling of the deformation behavior of particle reinforced metal matrix composites

A review is provided of the use of analytical models and two dimensional (2D) and three dimensional (3D) microstructure based FEM models to accurately predict the properties of particle reinforced composite materials. It is shown that analytical models do not account for the microstructural factors that influence the mechanical behavior of the material. 2D models do capture the anisotropy in deformation behavior induced by anisotropy in particle orientation. The experimentally-observed dependence of Young's modulus and tensile strength is confirmed by the 2D microstructure-based numerical model. However, because of the 2D stress state, a realistic comparison to actual experimental values is not possible. A serial sectioning process can be used to reproduce and visualize the 3D microstructure of particle reinforced metal matrix composites. The 3D microstructure-based FEM accurately represents the alignment, aspect ratio, and distribution of the particles. Comparison with single particle and multiparticle models of simple shape (spherical and ellipsoidal) shows that the 3D microstructure-based approach is more accurate in simulating and understanding material behavior.     

Prognostic evaluation of early indicators in fulminant hepatic failure by multivariate analysis

Results of eight multicenter, randomized, placebo-controlled, double-blind, parallel-group studies were pooled to assess the efficacy of the angiotensin II-receptor blocker irbesartan over the dose range of 1 to 900 mg. A total of 2955 adults with a seated diastolic blood pressure of 95 to 110 mm Hg were randomized to treatment with oral irbesartan once daily or placebo for 6 to 8 weeks. Office blood pressure was measured at trough (24+/-3 hours after the last dose) and peak (3+/-1 hours after the last dose) by mercury sphygmomanometry. Demographic characteristics (mean blood pressure; 151/101 mm Hg; mean age, 54 years; 63% male; and 82% white) were similar across all dose groups. After the groups were pooled, antihypertensive efficacy was assessed by therapeutic response (trough seated diastolic blood pressure <90 mm Hg or a reduction from baseline of > or = 10 mm Hg) and by modeling of the maximum reductions in trough and peak seated diastolic and systolic blood pressure. Antihypertensive effects increased with increasing doses and reached a plateau at > or = 300 mg. Irbesartan 150 mg provided placebo-subtracted reductions in trough seated systolic and diastolic blood pressure of approximately 8 and approximately 5 mm Hg, respectively, with 56% of patients displaying a favorable response. In conclusion, irbesartan provides clinically significant blood pressure lowering, with a clear relationship between (log) dose and antihypertensive effect.     

Novel rare-earth-containing lead-free solders with enhanced ductility

Severallead-free material systems are availableas replacements for traditional lead-based solders in microelectronic packaging, including near-eutectic combinations oftin-rich alloys. Although these materials have superior mechanical properties as compared to the Pb-Sn system, much work remains in developing these materials for electronic packaging. Small additions of rare-earth elements have been shown to refine the microstructure of several lead-free solder systems, thus improving their mechanical properties. This study investigated the effect of the addition of lanthanum on the melting behavior, microstructure, and shear strength of an Sn-3.9Ag-0.7Cu alloy. The influence of LaSn₃ intermetallics on microstructural refinement and damage evolution in these novel solders is discussed.     

Antineoplastic and antioxidant potential of phycofabricated silver nanoparticles using microalgae Chlorella minutissima

This study for the first time reports on fresh water microalgae Chlorella minutissima aqueous extract (CmAe) which was utilized for the biogenic synthesis of silver nanoparticles and tested their antineoplastic potential against Liver Hepatocellular Carcinoma (HepG2) cell line. The characteristic colour change of the reaction mixture from greenish yellow to yellowish brown confirmed the synthesis of Chlorella minutissima silver nanoparticles (CmAgNPs). Microscopic analysis revealed CmAgNPs to be spherical‐shaped with particle size ranging from 10 to 30 nm. The carbohydrates and proteins distinctive peaks were observed in Fourier transform infrared spectroscopy (FTIR) spectra which suggested these biomolecules acted as reducing and capping agents. Further, the crystalline nature of CmAgNPs was confirmed by X‐ray diffraction (XRD) analysis. CmAgNPs showed maximum free radical scavenging proving it to be more potent antioxidant agent as compared to CmAe. The mortality rate of HepG2 cells treated with CmAgNPs was found to be 91.8 % at 120 μg/ml with IC₅₀ value 12.42 ± 1.096 μg/ml after 48 h whereas no effect was observed on normal Human Embryonic Kidney (HEK 293) cells. Fluorescent images of the treated HepG2 cells revealed the formation of apoptotic bodies, condensed nuclei and cell shrinkage indicating their effectiveness against the cancer cells.Inspec keywords: silver, nanoparticles, nanomedicine, microorganisms, cellular biophysics, nanofabrication, scanning electron microscopy, transmission electron microscopy, atomic force microscopy, proteins, Fourier transform infrared spectra, molecular biophysics, X‐ray chemical analysis, X‐ray diffraction, kidney, cancer, biomedical materialsOther keywords: antineoplastic potential, antioxidant potential, phycofabricated silver nanoparticle, Chlorella minutissima, freshwater microalgae, aqueous extract, liver hepatocellular carcinoma cell line, CmAgNP synthesis, field emission scanning electron microscopy, high‐resolution transmission electron microscopy, atomic force microscopy, dynamic light scattering, carbohydrate, protein, Fourier transform infrared spectroscopy, biomolecule, energy‐dispersive X‐ray spectroscopy, elemental silver signal, CmAgNP crystalline, X‐ray diffraction analysis, antioxidant agent, HepG2 cell mortality rate, human embryonic kidney, HEK 293 cell, fluorescent image, apoptotic body formation, condensed nuclei, cell shrinkage, cancer cell, antineoplastic agent, Ag