Physics‐based model of lithium‐ion batteries running on a circuit simulator

The authors developed a physics‐based equivalent circuit model of a lithium‐ion battery (LIB) whose parameters are continually updated, reflecting the theoretical calculation results of the Butler‐Volmer equation, diffusion equations of the lithium‐ion and lithium, and Nernst equations of the liquid and solid phases. The developed model was applied to the charge/discharge simulations of an LIB, and the experimental and simulated results of constant current discharges and pulsed‐charge/discharge were found to be in excellent agreement. In particular, using the developed model, analyzing transient responses of the LIB derived from the transition of the electric double layer charging to the electrode reaction is possible. These results demonstrate that the electrochemical performance of an LIB can be calculated on a circuit simulator using the developed model.     

Impact of Dynamic Interlayer Interactions on Thermal Conductivity of Ca3Co4O9

The phonon thermal conductivity of misfit-layered Ca₃Co₄O₉ has been calculated by perturbed molecular dynamics using a classical force field. Detailed numerical analyses reveal that, in spite of its smaller cross-sectional area, the CoO₂ layer transports more heat than the thicker rock salt (RS) layer, although its local thermal conduction is more suppressed than in another layered cobaltite, Na _x CoO₂. The origins of these differences have been elucidated through careful examination of the atomic arrangements in each layer. Since thermal conduction in the RS layer can be reduced without deteriorating electronic properties for which the CoO₂ layer is responsible, it is suggested that the RS layer should be modified to further suppress the overall in-plane thermal conductivity. Computational experiments with increasing number of Ca–O planes in the RS layer showed the opposite trend to what can be predicted based on the misfit between two dissimilar layers. Further analyses to reveal the origin of these unexpected results provide yet another strategy to further decrease the thermal conductivity, namely to control the dynamic interference between atoms across the interface between two layers.     

Effect of drawing condition on mechanical properties and molecular orientation of self-reinforced poly(lactic acid) screws

Effects of extrusion ratio (ER) during extruding on mechanical properties of poly(lactic acid) (PLA) screws were investigated in terms of shear and twist strength. Shear strength increased by drawing, while twist strength decreased. This might be due to orientation of molecular chains during drawing. In order to evaluate orientation of molecular chains, orientation function in extruded billets was measured as a function of ER. Since orientation function increased with ER, drawing is effective method to improve shear strength of screw, where fibrous structure which was formed during extruding resisted shear stress in cross-section perpendicular to screw axis. Although orientation functions for billet extruded at ER 1.3–4 were equivalent, both strengths changed for the screw extruded at the range of this ER. Infrared spectra suggested transforming from α to β crystal for the billet extruded at the range of this ER. This result suggested that mechanical properties of screw also depended on the crystal forms.     

The correlation between the ionic degree of covalent bond comprising polymer main chain and the ionic yield due to mechanical fracture

The mechanical force to polymeric materials in vacuum at 77 K produces mechano radicals, mechano anions and mechano cations due to homogeneous and heterogeneous scissions of the covalent bonds comprising polymer main chain. The ionic degree of the covalent bond was estimated by calculating the “absolute ΔMulliken atomic charge,” which was defined as the difference between the Mulliken atomic charges of the two adjacent atoms comprising the covalent bond of the polymer main chain. The ionic yield of the covalent bond increased with increasing the absolute ΔMulliken atomic charge. The empirical formula for the ionic yield was obtained with the absolute ΔMulliken atomic charge, and indicates that the ionic yield could be estimated from its chemical structure.     

Characteristics of a-Si solar cells prepared by the super chamber at a high substrate temperature

A new approach to high-performance a-Si solar cells was studied. a-Si films prepared at a high substrate temperature (> 250°C) have a higher absorption coefficient and a low Si H₂ bond density. the effect of deposition temperature on the open-circuit voltage (V_oc) has been investigated systematically for glass/SnO2 Ipin/metal and glass/metal/nip/indium tin oxide (ITO) structure a-Si solar cells. The V_oc is found to depend strongly on the thermal history of the p/i interface. A short-circuit current of 19.5 mA/cm⁻⁻² was achieved for an a-Si solar cell using an a-Si i-layer with a thickness of 4000 Å, which was prepared at a substrate temperature of 270°C.     

Supramolecular Architectures of Nucleic Acid/Peptide Hybrids

Supramolecular architectures that are built artificially from biomolecules, such as nucleic acids or peptides, with structural hierarchical orders ranging from the molecular to nano-scales have attracted increased attention in molecular science research fields. The engineering of nanostructures with such biomolecule-based supramolecular architectures could offer an opportunity for the development of biocompatible supramolecular (nano)materials. In this review, we highlighted a variety of supramolecular architectures that were assembled from both nucleic acids and peptides through the non-covalent interactions between them or the covalently conjugated molecular hybrids between them.     

Effects of Enantiomeric Blend of Verbenone on Response ofIps paraconfusus to Naturally Produced Aggregation Pheromone in the Laboratory

The aggregation pheromone produced by maleIps paraconfusus (Coleoptera: Scolytidae) tunneling in Monterey pine,Pinus radiata, logs was trapped on Porapak Q. A concentration of an extract of trapped volatiles that attracted beetles was determined in the laboratory through a concentration–response analysis of walking behavior of males and females. The interruptant effects of four concentrations of verbenone on response to a constant concentration of this naturally produced aggregation pheromone were tested with males and females. Independent of its enantiomeric composition [99.5% (S)-(–), 93.1 % (S)-(–), and 98.3% (R)-(+)], verbenone significantly reduced the percentage of females (but not males) reaching the attractant source. However, when the time required for beetles of both sexes taken together to reach the attractant source was considered, verbenone of higher enantiomeric purity had a greater effect on beetle behavior. Solutions of 99.5% (S)-(–)- and 98.3% (R)-(+)-verbenone increased the time required for beetles to reach the attractive source when compared to 93.1% (S)-(–)-verbenone. When pooled across enantiomeric blends, increasing concentrations of verbenone resulted in slower responses in beetles that reached the attractant source within 2 min. Males and females did not respond to verbenone alone.     

Vitamin E reduces cholesterol esterification and uptake of acetylated low density lipoprotein in macrophages

The effects of vitamin E on cholesteryl ester (CE) metabolism in 1774 cells were examined. Pretreatment of 1774 cells with vitamin E at concentrations above 50 μM significantly decreased acetylated low density lipoprotein (LDL)-induced incorporation of [¹⁴C]oleate into CF in cells in a dose-dependent manner. This was partly due to vitamin E Also significantly inhibiting the uptake of [³H]CE-labeled acetylated LDL by 1774 cells. A trend existed toward suppression of acyl-CoA:cholesterol acyltransferase (ACAT) activity in the cell lysate at high vitamin E concentration, but there was no effect on hydrolysis of CE. These data indicate that vitamin E reduces the uptake of modified LDL and suppresses ACAT activity, resulting in less cholesterol esterification in macrophages; a novel mechanism underlying the antiatherogenic properties of vitamin E.     

Decomposition characteristics of biodegradable plastics made from sago starch‐extraction residue

Biodegradable plastics were synthesized for the effective use of sago starch‐extraction residue, which has been discarded as a waste. Two types of esterified sago starch‐extraction residue, P‐SP and L‐SP, were obtained. It had black color for P‐SP₁₆₀ (esterified by palm oil) to light yellow color for L‐SP₈₀ (esterified by lauric acid) and showed high carbon content, ranging from 399.3 to 537.1 g kg⁻¹. Biodegradable plastics from the residue, which had high esterification degree showed thermoplasticity and slower decomposition in Andisols in Japan and Inceptisols in Philippines. The esterification degrees of P‐SP₁₆₀ and L‐SP were 3.23 and 2.95 to 5.18 mmol g⁻¹, respectively. In addition, L‐SP₈₀ exhibited the most appropriate thermal softening behavior by heating. The cumulative decomposition of P‐SP₁₆₀ in Andisols and Inceptisols showed 16.7 and 32.8% of total carbon during 31 day of the incubation. On the other hand, the decomposition rates of L‐SP₈₀ in Andisols and Inceptisols were less than 10% of total carbon during 31 day of the incubation. The addition of triacetin as plasticizer to P‐SP₁₆₀ and L‐SP₈₀ remarkably influenced the decomposition rate of both molded P‐SP₁₆₀ and L‐SP₈₀. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011