Questioning numerical integration methods for microsphere (and microplane) constitutive equations

In the last few years, more and more complex microsphere models have been proposed to predict the mechanical response of various polymers. Similarly than for microplane models, they consist in deriving a one-dimensional force vs. stretch equation and to integrate it over the unit sphere to obtain a three-dimensional constitutive equation. In this context, the focus of authors is laid on the physics of the one-dimensional relationship, but in most of the case the influence of the integration method on the prediction is not investigated.Here we compare three numerical integration schemes: a classical Gaussian scheme, a method based on a regular geometric meshing of the sphere, and an approach based on spherical harmonics. Depending on the method, the number of integration points may vary from 4 to 983,040! Considering simple quantities, i.e. principal (large) strain invariants, it is shown that the integration method must be carefully chosen. Depending on the quantities retained to described the one-dimensional equation and the required error, the performances of the three methods are discussed. Consequences on stress–strain prediction are illustrated with a directional version of the classical Mooney–Rivlin hyperelastic model. Finally, the paper closes with some advices for the development of new microsphere constitutive equations.     

Effect of strain rate on the dynamic compressive mechanical behaviors of rock material subjected to high temperatures

Strain rate is not only an important measure to characterize the deformation property, but also an important parameter to analyze the dynamic mechanical properties of rock materials. In this paper, by using the SHPB test system improved with high temperature device, the dynamic compressive tests of sandstone at seven temperatures in the range of room temperature to 1000 °C and five impact velocities in the range of 11.0–15.0 m/s were conducted. Investigations were carried out on the influences of strain rate on dynamic compressive mechanical behaviors of sandstone. The results of the study indicate that the enhancement effects of strain rates on dynamic compressive strength, peak strain, energy absorption ratio of sandstone under high temperatures still exist. However, the increase ratios of dynamic compressive strength, peak strain, and energy absorption ratio of rock under high temperature compared to room temperature have no obvious strain rate effects. The temperatures at which the strain rates affect dynamic compressive strength and peak strain most, are 800, and 1000 °C, respectively. The temperatures at which the strain rates affect dynamic compressive strength and peak strain weakest, are 1000 °C, and room temperature, respectively. At 200 and 800 °C, the strain rate effect on energy absorption ratio are most significant, while at 1000 °C, it is weakest. There are no obvious strain rate effects on elastic modulus and increase ratio of elastic modulus under high temperatures. According to test results, the relationship formula of strain rate with high temperature and impact load was derived by internalizing fitting parameters. Compared with the strain rate effect at room temperature condition, essential differences have occurred in the strain rate effect of rock material under the influence of high temperature.     

Excited-state absorption of meso-tetrasulfonatophenyl porphyrin: Effects of pH and micelles

The influence of the environment on the excited state transitions of meso-tetrakis(p-sulfonatophenyl) porphyrin (TPPS) is reported. TPPS was investigated in protonated and non-protonated forms, and in the presence of the cationic cetyltrimethylammonium bromide (CTAB) micelles. The singlet excited-state absorption spectra were measured by using the white-light continuum Z-scan technique and the triplet–triplet absorption spectra were acquired employing an association of laser flash photolysis and Z-scan techniques. Our results show that the perseveration of the molecular symmetry, upon excitation, depends on the state of multiplicity of the molecules, as well as on the environment and structural characteristics of the porphyrin. Additionally, it was observed that for excited molecules, the ring distortion caused by the protonation of porphyrin ring has great influence on the changes observed for the symmetry and vibronic structure. The results clearly show that the porphyrin investigated is a promising candidate for optical limiting applications for all investigated environments.     

Time Domain Nuclear Magnetic Resonance (TD-NMR) to evaluate the effect of potato cell membrane electroporation

Time Domain-Nuclear Magnetic Resonance (TD-NMR) was used here for the first time to analyze potato specimens cut from tubers before and after electroporation. The proton transverse relaxation time, T₂, was used to identify the modifications that occur at the cell level involving water molecules mobility in potato tubers after the electroporation treatment. Since electroporation modifies the tissue conductivity, the samples were also analyzed in terms of conductivity, water content, and microscopic morphology of the tissue. Comparison analyses were performed on dried potato (zero water content) and water-potato starch mixtures with different water contents. All the data confirm that the effect of the electroporation process can be identified with a variation of the position of the peaks in T₂ distribution, associated to sub-cellular modifications.     

Performance improvement of conventional and inverted polymer solar cells with hydrophobic fluoropolymer as nonvolatile processing additive

The morphology of the photoactive layer critically affects the performance of the bulk heterojunction polymer solar cells (PSCs). To control the morphology, we introduced a hydrophobic fluoropolymer polyvinylidene fluoride (PVDF) as nonvolatile additive into the P3HT:PCBM active layer. The effect of PVDF on the surface and the bulk morphology were investigated by atomic force microscope and transmission electron microscopy, respectively. Through the repulsive interactions between the hydrophilic PCBM and the hydrophobic PVDF, much more uniform phase separation with good P3HT crystallinity is formed within the active layer, resulting enhanced light harvesting and improved photovoltaic performance in conventional devices. The PCE of the conventional device can improve from 2.40% to 3.07% with PVDF additive. The PVDF distribution within the active layer was investigated by secondary ion mass spectroscopy, confirming a bottom distribution of PVDF. Therefore, inverted device structure was designed, and the PCE can improve from 2.81% to 3.45% with PVDF additive. Our findings suggest that PVDF is a promising nonvolatile processing additive for high performance polymer solar cells.     

Numerical investigation of a multichannel reactor for syngas production by methanol steam reforming at various operating conditions

A novel multichannel reactor with a bifurcation inlet manifold, a rectangular outlet manifold, and sixteen parallel minichannels with commercial CuO/ZnO/Al₂O₃ catalyst for methanol steam reforming was numerically investigated in this paper. A three-dimensional numerical model was established to study the heat and mass transfer characteristics as well as the chemical reaction rates. The numerical model adopted the triple rate kinetic model of methanol steam reforming which can accurately calculate the consumption and generation of each species in the reactor. The effects of steam to carbon molar ratio, weight hourly space velocity, operating temperature and catalyst layer thickness on the methanol steam reforming performance were evaluated and discussed. The distributions of temperature, velocity, species concentration, and reaction rates in the reactor were obtained and analyzed to explain the mechanisms of different effects. It is suggested that the operating temperature of 548 K, steam to carbon ratio of 1.3, and weight hourly space velocity of 0.67 h⁻¹ are recommended operating conditions for methanol steam reforming by the novel multichannel reactor with catalyst fully packed in the parallel minichannels.     

A new mechanoluminescence phosphor Na3Sc2(PO4)3:Eu2+: Phase transition-assisted defect formation in a polymorphic composition

A new mechanoluminescent phosphor was developed from a sodium (Na) superionic conductor (NASICON)-structured Na₃Sc₂(PO₄)₃:Eu²⁺ phosphor that is known for its self-healing properties. The compound that crystalized assuming monoclinic C2/c symmetry was found to be blue-emitting, with no noticeable persistent luminescence. Thermoluminescence analysis showed that the phosphor had two prominent distinct thermal emission bands corresponding to the high-temperature β- and γ-phases of the composition. The mechanoluminescence properties of the material that does not have any persistent luminescence at room temperature were investigated by imparting impulsive strain. The compound on charging with 365 nm radiation was found to have significant mechanoluminescent emission originating from shallow defects present in the β-phase of composition that formed by the stress-induced phase transition process. Its emission characteristics and temporal behavior were investigated by varying the impact velocity.     

Doping-free hybrid white organic light-emitting diodes with fluorescent blue,phosphorescent green and red emission layers

Industrialized white organic light-emitting diodes (OLEDs) currently require host-guest doping, a complicated process necessitating precise control of the guest concentration to get high efficiency and stability. Two doping-free, hybrid white OLEDs with fluorescent blue, and phosphorescent green and red emissive layers (EMLs) are reported in this work. An ultra-thin red phosphorescent EML was situated in a blue-emitting electron transport layer (ETL), while the ultra-thin green phosphorescent EML was placed either in the ETL (Device 1), or the hole transport layer (HTL) (Device 2). Device 2 exhibits higher efficiency and more stable spectrum due to the enhanced utilization of excitons by ultra-thin green EML at the exciton generation zone within the HTL. Values of current efficiency (CE), power efficiency (PE), and CRI obtained for the optimized hybrid white OLEDs fabricated through a doping-free process were of 23.2 cd/A, 20.5 lm/W and 82 at 1000 cd/m², respectively.