A performance degradation model of nitrile butadiene rubber (NBR) O-rings for hydrogen permeation effects under high-pressure.

The integration of molecular chain changes on a microscopic scale to achieve macroscopic performance is crucial in degradation processes concerning O-ring seals. Nonetheless, a comprehensive and compelling mathematical model that can describe molecular chains' material properties and macroscopic material properties simultaneously for O-rings under high-pressure conditions is yet to be established. In this paper, we propose a degradation model based on viscoelasticity and molecular chain statistics for hydrogen permeation. The proposed model aims to establish the relationship between the material molecular chains and macroscopic material properties, with a primary focus on accurately recognizing the performance degradation process of rubber sealing rings. We verify the model's reliability through uniaxial tensile strength experiments and high-pressure hydrogen immersion experiments, respectively. Predictions of the model exhibit favorable conformity with the experimental data concerning the above phenomena. Furthermore, we derive the number of molecular chains and maximum strain of the degradation process. Based on the similarity of the degradation process's descent, it is plausible to speculate that NBR properties' degradation can be characterized by the average number of molecular chains.

Definition of Atomic-Scale Contact: What Dominates the Atomic-Scale Friction Behaviors?

The definition of atomic-scale contact is a very ambiguous issue owing to the discrete atomic arrangement, which hinders the development of contact theory and nano-tribological techniques. In this work, we studied the atomic-scale contact area and their correlations with friction force based on three distinct contact definitions (interatomic distance, force, and interfacial chemical bonds) by performing large-scale atomistic simulations on a typical ball-on-disk contact model. In the simulations, the measured contact areas defined by interatomic distance, force, and interfacial chemical bonds (referred as to Adist, Aforce, and Abond, respectively) are not equivalent at all, while we interestingly clarify that only Adist is consistent with the one calculated by continuum Hertz contact mechanics, and moreover, only Abond is proportional to the friction force indicating that Abond is the dominant one for determining materials' frictional behaviors. The above fundamental insights into the atomic-scale contact problems are useful to deeply understand the origins of tribological phenomena and contribute to the further prediction of atomic-scale friction.

Enantioselective Organocatalytic Three-Component Vinylogous Michael/Aldol Tandem Reaction among 3-Alkylidene oxindoles, Methyleneindolinones, and Aldehydes.

We reported a one-pot enantioselective three-component vinylogous Michael/aldol tandem reaction of prochiral 3-alkylidene oxindoles with methyleneindolinones and aldehydes using bifunctional organocatalysts. A variety of enantioenriched 3,3-disubstituted oxindoles 3 and spirolactones 4 were generated in moderate yields (up to 78%) with high stereoselectivities (up to >20:1 dr, >99% ee). Intriguingly, we observed that the aldol reaction with paraformaldehyde generates 3,3-disubstituted oxindoles 3 bearing a hydroxymethyl group, while the reaction with aliphatic aldehydes generates spirolactones 4.

Sea Cucumber Detection Algorithm Based on Deep Learning.

The traditional single-shot multiBox detector (SSD) for the recognition process in sea cucumbers has problems, such as an insufficient expression of features, heavy computation, and difficulty in application to embedded platforms. To solve these problems, we proposed an improved algorithm for sea cucumber detection based on the traditional SSD algorithm. MobileNetv1 is selected as the backbone of the SSD algorithm. We increase the feature receptive field by receptive field block (RFB) to increase feature details and location information of small targets. Combined with the attention mechanism, features at different depths are strengthened and irrelevant features are suppressed. The experimental results show that the improved algorithm has better performance than the traditional SSD algorithm. The average precision of the improved algorithm is increased by 5.1%. The improved algorithm is also more robust. Compared with YOLOv4 and the Faster R-CNN algorithm, the performance of this algorithm on the P-R curve is better, indicating that the performance of this algorithm is better. Thus, the improved algorithm can stably detect sea cucumbers in real time and provide reliable feedback information.

Organocatalytic asymmetric allylic alkylation of 2-methyl-3-nitroindoles: a route to direct enantioselective functionalization of indole C(sp3)-H bonds.

We here described a direct catalytic asymmetric functionalization of 2-methylindoles using organocatalysis. An efficient asymmetric allylic alkylation reaction with respect to 2-methyl-3-nitroindoles and racemic Morita-Baylis-Hillman carbonate has been achieved by using a chiral biscinchona alkaloid catalyst, which provided the functionalized indole derivatives in good yields and enantioselectivities.

Cooperative roles of chemical reactions and mechanical friction in chemical mechanical polishing of gallium nitride assisted by OH radicals: tight-binding quantum chemical molecular dynamics simulations.

Chemical mechanical polishing (CMP) is a key manufacturing process for applying gallium nitride (GaN), especially the Ga-face GaN, to semiconductor devices such as laser diodes. However, the CMP efficiency for GaN is very low due to its high hardness and chemical stability. Experimentally, OH radicals appear able to improve the CMP efficiency of GaN polished by a SiO2 abrasive grain, whereas the mechanisms of the OH-radical-assisted CMP process remain unclear because experimental elucidation of the complex chemical reactions occurring among GaN substrate, abrasive grain, and OH radicals is difficult. In this work, we used our previously developed tight-binding quantum chemical molecular dynamics simulator to study the OH-radical-assisted CMP process of the widely employed Ga-face GaN substrate polished by an amorphous SiO2 abrasive grain in an effort to understand how OH radicals assist the CMP process and then aid the development of next-generation CMP techniques. Our simulations revealed that the OH-radical-assisted CMP process of GaN occurs via the following three basic reaction steps: (i) first, all hydrogen terminations on the GaN surface are replaced by OH terminations through continuous reactions with OH radicals; (ii) after the substrate is fully terminated by OH, the hydrogen atoms of these OH terminations are removed by reacting with newly added OH radicals, which forms H2O molecules and leaves energetic oxygen atoms with dangling bonds on the surface; and (iii) finally, these energetic oxygen atoms intrude inside the substrate with concomitant dissociation of Ga-N bonds and the generation of N2 and gallium hydroxide molecules, which accumulatively lead to the removal of N and Ga atoms from the substrate.

Robust and Stable Acidic Overall Water Splitting on Ir Single Atoms.

Single-atom electrocatalysts (SAEs) can realize the target of low-cost by maximum atomic efficiency. However, they usually suffer performance decay due to high energy states, especially in a harsh acidic water splitting environment. Here, we conceive and realize a double protecting strategy that ensures robust acidic water splitting on Ir SAEs by dispersing Ir atoms in/onto Fe nanoparticles and embedding IrFe nanoparticles into nitrogen-doped carbon nanotubes (Ir-SA@Fe@NCNT). When Ir-SA@Fe@NCNT acts as a bifunctional electrocatalyst at ultralow Ir loading of 1.14 µg cm-2, the required overpotentials to deliver 10 mA cm-2 are 250 and 26 mV for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in 0.5 M H2SO4 electrolyte corresponding to 1370- and 61-fold better mass activities than benchmark IrO2 and Pt/C at an overpotential of 270 mV, respectively, resulting in only 1.51 V to drive overall water splitting. Moreover, remarkable stability is also observed compared to Pt/C-IrO2.

Effects of oxygen chemical potential on the anisotropy of the adsorption properties of Zr surfaces.

The anisotropy of metal oxidation is a fundamental issue, and the oxidation of Zr surfaces also attracts much attention due to the application of Zr alloys as cladding materials for nuclear fuels in nuclear power plants. In this study, we systematically investigate the diagram of O adsorption on low Miller index Zr surfaces by using first-principles calculations based on density functional theory calculations. We find that O adsorption on the basal surface, Zr(0001), is more favourable than that on the prism surfaces, Zr(112[combining macron]0) and Zr(101[combining macron]0), under strong O-reducing conditions, while O adsorption on the prism surface is more favourable than that of the basal surface under weak O-reducing conditions and the O-rich conditions. Our findings reveal that the anisotropy of adsorption properties of O on the Zr surfaces is dependent on the O chemical potential in the environment. Furthermore, the ability of the prism for O adsorption is stronger than that of the basal surface under the O-rich condition, which is consistent with the experimental observation that the oxidation of the prism Zr surface is easier than that of the basal surface. Systematic surveys show the adsorption ability of the surface under strong O-reducing conditions is determined by the low coordination numbers of surface atoms and surface geometrical structures, while the adsorption ability of the surface under weak O-reducing conditions and O-rich conditions is only determined by the low coordination number of surface atoms. These results can provide an atomic scale understanding of the initial oxidation of Zr surfaces, which inevitably affects the growth of protective passivation layers that play critical roles in the corrosion resistance of Zr cladding materials.

Characterization of a novel non-receptor tyrosine kinase Src from Litopenaeus vannamei and its response to white spot syndrome virus infection.

Src family kinases (SFKs), a class of non-receptor tyrosine kinases, mediate a wide aspect of cellular signaling pathways that regulate cell proliferation, differentiation, motility and survival. In this study, we identified and characterized for the first time a novel SFK homologue from Litopenaeus vannamei (designated as LvSrc). Sequence analysis showed that LvSrc had a high homology with the identified SFKs, especially those from invertebrates. LvSrc contained the conserved SH3, SH2 and tyrosine kinase domains, as well as the potential phosphorylation and lipid modification sites. Immunofluorescence analysis demonstrated that LvSrc was mostly localized at the plasma membrane and partly resided in the perinuclear vesicle and nucleus or whole cell. Infection with white spot syndrome virus (WSSV) could up-regulate the transcription and expression levels of LvSrc and further induced its phosphorylation, suggesting that LvSrc was implicated in WSSV infection. Furthermore, our co-immunoprecipitation result confirmed the interaction between Src and focal adhesion kinase (FAK) in shrimp, while the phosphorylation of FAK was markedly enhanced by co-expression with LvSrc. In sum, our studies suggested that LvSrc might act in the FAK-regulated signaling pathway during WSSV infection, which would give us a better insight in understanding the role of SKFs in host-virus interactions in crustaceans.

eIF2α of Litopenaeus vannamei involved in shrimp immune response to WSSV infection.

The alpha subunit of Eukaryotic Initiation Factor 2 (eIF2α) is a key translation regulator that plays an important role in cellular stress responses, which including virus infection. To investigate whether WSSV infection can activate the PERK-eIF2α pathway, the eIF2α in shrimp Litopenaeus vannamei, designed as LveIF2α, was analyzed. The LveIF2α, a 332-amino acid polypeptide, shares a high degree of similarity with eIF2α from other species, having two eIF2α protein signatures at the 13-88 aa and 192-243 aa. The WSSV challenge experiment showed that the protein level of the total LveIF2α was decreased after infection, while the phosphorylation of LveIF2α has no significant change, which indicated that the phosphorylation ratio of LveIF2α was increased after infection. Furthermore, inhibitor treatment led to a significant decrease of WSSV loads. Moreover, the Binding immunoglobulin protein (BiP), an endoplasmic reticulum (ER) stress sensor, and PERK were also investigated during virus infection and it was shown that they were both up-regulated. Taken together, these results suggested that WSSV infection can induce ER stress and activated the unfolded protein response (UPR), and the PERK-eIF2α pathway is important for innate immune during WSSV infection in shrimp.

Communication: different behavior of Young's modulus and fracture strength of CeO2: density functional theory calculations.

In this Communication, we use density functional theory (DFT) to examine the fracture properties of ceria (CeO2), which is a promising electrolyte material for lowering the working temperature of solid oxide fuel cells. We estimate the stress-strain curve by fitting the energy density calculated by DFT. The calculated Young's modulus of 221.8 GPa is of the same order as the experimental value, whereas the fracture strength of 22.7 GPa is two orders of magnitude larger than the experimental value. Next, we combine DFT and Griffith theory to estimate the fracture strength as a function of a crack length. This method produces an estimated fracture strength of 0.467 GPa, which is of the same order as the experimental value. Therefore, the fracture strength is very sensitive to the crack length, whereas the Young's modulus is not.

Atomistic Removal Mechanisms of SiC in Hydrogen Peroxide Solution.

To elucidate the atomic mechanisms of the chemical mechanical polishing (CMP) of silicon carbide (SiC), molecular dynamics simulations based on a reactive force field were used to study the sliding process of silica (SiO2) abrasive particles on SiC substrates in an aqueous H2O2 solution. During the CMP process, the formation of Si-O-Si interfacial bridge bonds and the insertion of O atoms at the surface can lead to the breakage of Si-C bonds and even the complete removal of SiC atoms. Furthermore, the removal of C atoms is more difficult than the removal of Si atoms. It is found that the removal of Si atoms largely influences the removal of C atoms. The removal of Si atoms can destroy the lattice structure of the substrate surface, leading the neighboring C atoms to be bumped or even completely removed. Our research shows that the material removal during SiC CMP is a comprehensive result of different atomic-level removal mechanisms, where the formation of Si-O-Si interfacial bridge bonds is widespread throughout the SiC polishing process. The Si-O-Si interfacial bridge bonds are the main removal mechanisms for SiC atoms. This study provides a new idea for improving the SiC removal process and studying the mechanism during CMP.

Improving extreme offshore wind speed prediction by using deconvolution.

This study proposes an innovative method for predicting extreme values in offshore engineering. This includes and is not limited to environmental loads due to offshore wind and waves and related structural reliability issues. Traditional extreme value predictions are frequently constructed using certain statistical distribution functional classes. The proposed method differs from this as it does not assume any extrapolation-specific functional class and is based on the data set's intrinsic qualities. To demonstrate the method's effectiveness, two wind speed data sets were analysed and the forecast accuracy of the suggested technique has been compared to the Naess-Gaidai extrapolation method. The original batch of data consisted of simulated wind speeds. The second data related to wind speed was recorded at an offshore Norwegian meteorological station.

Gaidai-Xing reliability method validation for 10-MW floating wind turbines.

In contrast to well-known bivariate statistical approach, which is known to properly forecast extreme response levels for two-dimensional systems, the research validates innovative structural reliability method, which is particularly appropriate for multi-dimensional structural responses. The disadvantage of dealing with large system dimensionality and cross-correlation across multiple dimensions is not a benefit of traditional dependability approaches that deal with time series. Since offshore constructions are built to handle extremely high wind and wave loads, understanding these severe stresses is essential, e.g. wind turbines should be built and operated with the least amount of inconvenience. In the first scenario, the blade root flapwise bending moment is examined, whereas in the second, the tower bottom fore-aft bending moment is examined. The FAST simulation program was utilized to generate the empirical bending moments for this investigation with the load instances activated at under-rated, rated, and above-rated speeds. The novel reliability approach, in contrast to conventional reliability methods, does not call for the study of a multi-dimensional reliability function in the case of numerical simulation. As demonstrated in this work, it is now possible to assess multi-degree-of-freedom nonlinear system failure probability, in the case when only limited system measurements are available.

Synthesis of RGO/Cu@ FeAl2O4 Composites and Its Applications in Electromagnetic Microwave Absorption Coatings.

In order to satisfy the requirements of wide frequency bands, the lightweight and strong absorption for the electromagnetic wave absorbing materials, a uniform mixture of FeAl2O4 with RGO/Cu (reduction graphene oxide, RGO) was obtained by the mechanical mixing method, and composite coating was obtained by plasma spraying. The addition of RGO/Cu into FeAl2O4 is conducive to improve the dielectric properties and the impedance matching performance of spinel. When the RGO/Cu composite powders are doped by 10 wt.%, the reflection loss at 15 GHz is -16 dB and the absorption bandwidth is 2 GHz, indicating that the composite material has potential application value in the field of high-frequency wave absorption. The research on the electromagnetic wave absorption mechanism shows that its superior wave absorption performance is determined by the synergistic effect of multiple loss mechanisms such as interfacial polarization, dipole relaxation, natural resonance, exchange resonance, and eddy current loss.

Novel methods for reliability study of multi-dimensional non-linear dynamic systems.

This research presents two unique techniques for engineering system reliability analysis of multi-dimensional non-linear dynamic structures. First, the structural reliability technique works best for multi-dimensional structural responses that have been either numerically simulated or measured over a long enough length to produce an ergodic time series. Second, a novel extreme value prediction method that can be used in various engineering applications is proposed. In contrast to those currently used in engineering reliability methodologies, the novel method is easy to use, and even a limited amount of data can still be used to obtain robust system failure estimates. As demonstrated in this work, proposed methods also provide accurate confidence bands for system failure levels in the case of real-life measured structural response. Additionally, traditional reliability approaches that deal with time series do not have the benefit of being able to handle a system's high dimensionality and cross-correlation across several dimensions readily. Container ship that experiences significant deck panel pressures and high roll angles when travelling in bad weather was selected as the example for this study. The main concern for ship transportation is the potential loss of cargo owing to violent movements. Simulating such a situation is difficult since waves and ship motions are non-stationary and complicatedly non-linear. Extreme movements greatly enhance the role of nonlinearities, activating effects of second and higher order. Furthermore, laboratory testing may also be called into doubt due to the scale and the choice of the sea state. Therefore, data collected from actual ships during difficult weather journeys offer a unique perspective on the statistics of ship movements. This work aims to benchmark state-of-the-art methods, making it possible to extract necessary information about the extreme response from available on-board measured time histories. Both suggested methods can be used in combination, making them attractive and ready to use for engineers. Methods proposed in this paper open up possibilities to predict simply yet efficiently system failure probability for non-linear multi-dimensional dynamic structure.

Carbon Storage Tanker Lifetime Assessment.

CO2 capture and storage (CCS) is an important strategy to reduce global CO2 emissions. This work presents both cutting-edge carbon storage tanker design, as well as novel reliability method making possible to extract useful information about the lifespan distribution of carbon capture systems from their recorded time history. The method outlined may be applied on more complex sustainable systems that are exposed to environmental stresses throughout the whole period of their planned service life. The latter is of paramount importance at the design stage for complex engineering systems. Novel design for CCS system is discussed and accurate numerical simulation results are used to apply suggested novel reliability methodology. Furthermore, traditional reliability approaches that deal with complex energy systems are not well suited for handling high dimensionality and cross-correlation between various system components of innovative dynamic CO2 storage subsea shuttle tanker. This study has two distinctive key features: the state of art CCS design concept, and the novel general purpose reliability method, recently developed by authors, and particularly suitable for operational safety study of complex energy systems.

Oil tanker under ice loadings.

As a result of global warming, the area of the polar pack ice is diminishing, making merchant travel more practical. Even if Arctic ice thickness reduced in the summer, fractured ice is still presenting operational risks to the future navigation. The intricate process of ship-ice interaction includes stochastic ice loading on the vessel hull. In order to properly construct a vessel, the severe bow forces that arise must be accurately anticipated using statistical extrapolation techniques. This study examines the severe bow forces that an oil tanker encounters when sailing in the Arctic Ocean. Two stages are taken in the analysis. Then, using the FEM program ANSYS/LS-DYNA, the oil tanker bow force distribution is estimated. Second, in order to estimate the bow force levels connected with extended return periods, the average conditional exceedance rate approach is used to anticipate severe bow forces. The vessel's itinerary was planned to take advantage of the weaker ice. As a result, the Arctic Ocean passage took a meandering route rather than a linear one. As a result, the ship route data that was investigated was inaccurate with regard to the ice thickness data encountered by a vessel yet skewed with regard to the ice thickness distribution in the region. This research intends to demonstrate the effective application of an exact reliability approach to an oil tanker with severe bow forces on a particular route.

Systematically Study the Tensile and Compressive Behaviors of Diamond-like Carbon.

It is important to understand the mechanical properties of diamond-like carbon (DLC) for use not only in frictionand wear-resistant coatings, but also in vibration reduction and damping increase at the layer interfaces. However, the mechanical properties of DLC are influenced by the working temperature and its density, and the applications of DLC as coatings are limited. In this work, we systematically studied the deformation behaviors of DLC under different temperatures and densities using compression and tensile testing of DLC by molecular dynamics (MD) methods. In our simulation results, the values of tensile stress and compressive stress decreased and tensile strain and compressive strain increased as the temperature increased from 300 K to 900 K during both tensile and compressive processes, indicating that the tensile stress and tensile strain depend on the temperature. During the tensile simulation, Young's modulus of DLC models with different densities had a different sensitivity to the increase in temperature, and the DLC model with a high density was more sensitive than that with a low density, which was not seen in the compression process. We conclude that the Csp3-Csp2 transition leads to tensile deformation, while the Csp2-Csp3 transition and relative slip dominate compressive deformation.

Suppression of hepatocellular carcinoma by Ulva lactuca ulvan via gut microbiota and metabolite interactions.

INTRODUCTION: Ulva lactuca polysaccharide (ULP) is green algae extract with numerous biological activities, including anticoagulant, anti-inflammatory, and antiviral effects. However, the inhibitory ability of ULP in the development of hepatocellular carcinoma warrants further studies. OBJECTIVES: To elucidate the anti-tumor mechanism of ULP action and evaluate its regulatory effect on gut microbiota and metabolism in H22 hepatocellular carcinoma tumor-bearing mice. METHODS: An H22 tumor-bearing mouse model was established by subcutaneously injecting H22 hepatoma cells. The gut microbiota composition in cecal feces was assessed and subjected to untargeted metabolomic sequencing. The antitumor activity of ULP was verified further by western blot, RT-qPCR, and reactive oxygen species (ROS) assays. RESULTS: Administration of ULP alleviated tumor growth by modulating the compositions of the gut microbial communities (Tenericutes, Agathobacter, Ruminiclostridium, Parabacteroides, Lactobacillus, and Holdemania) and metabolites (docosahexaenoic acid, uric acid, N-Oleoyl Dopamine, and L-Kynurenine). Mechanistically, ULP promoted ROS production by inhibiting the protein levels of JNK, c-JUN, PI3K, Akt, and Bcl-6, thereby delaying the growth of HepG2 cells. CONCLUSION: ULP attenuates tumor growth in H22 tumor-bearing mice by modulating gut microbial composition and metabolism. ULP inhibits tumor growth mainly by promoting ROS generation.