Time reversibility of the discrete element method

An algorithm is presented for discrete element method simulations of energy-conserving systems of frictionless, spherical particles in a reversed-time frame. This algorithm is verified, within the limits of round-off error, through implementation in the LAMMPS code. Mechanisms for energy dissipation such as interparticle friction, damping, rotational resistance, particle crushing, or bond breakage cannot be incorporated into this algorithm without causing time irreversibility. This theoretical development is applied to critical-state soil mechanics as an exemplar. It is shown that the convergence of soil samples, which differ only in terms of their initial void ratio, to the same critical state requires the presence of shear forces and frictional dissipation within the soil system.     

Optimal power flow by BAT search algorithm for generation reallocation with unified power flow controller

Optimal power flow with generation reallocation is a suitable method for better utilization of the existing system. In recent years, Flexible AC Transmission System (FACTS) devices, have led to the development of controllers that provide controllability and flexibility for power transmission. Out of the FACTS devices unified power flow controller (UPFC) is a versatile device, capable of controlling the power system parameters like voltage magnitude, phase angle and line impedance individually or simultaneously. The main aim of this paper is to minimize real power losses in a power system using BAT search algorithm without and with the presence of UPFC. Minimization of real power losses is done by considering the power generated by generator buses, voltage magnitudes at generator buses and reactive power injection from reactive power compensators. The proposed BAT algorithm based Optimal Power Flow (OPF) has been tested on a 5 bus test system and modified IEEE 30 bus system without and with UPFC. The results of the system with and without UPFC are compared in terms of active power losses in the transmission line using BAT algorithm. The obtained results are also compared with Genetic algorithm (GA).     

Temperature adaptability of the soluble lead flow battery using different solutions of fluoborate,perchlorate, methanesulfonate and trifluoromethanesulfonate

The evaluation of cell's weatherability is of practical interest. To further improve the soluble lead flow battery's weatherability, physiochemical properties of electrolytes containing fluoborate, perchlorate, methanesulfonate and trifluoromethanesulfonate are investigated from ?60 to 50 °C. Activities of CF₃SO₃H and HClO₄ are poor in trifluoromethanesulfonate and perchlorate solutions due to common anion effect. The solubility of lead salt can be improved by increasing temperature, but worsened by increasing acid's content. With the temperature increasing, the conductivity is enhanced, and the viscosity is lowered for four solutions. The same results have been found by increasing acid's content except for CF₃SO₃H. The high energy efficiency can be achieved for cells over ?40–0 °C using fluoborate and perchlorate solutions, 73.2% at ?40 °C and 78.1% at ?30 °C respectively. Over the temperature range of 20–50 °C, the cells with methanesulfonate and trifluoromethanesulfonate solutions have good performance, 77.4% and 73.7% at 50 °C respectively.     

Accounting for the uncertainties in the estimation of average shear wave velocity using V S– N correlations

Site-specific seismic hazard analysis is crucial for designing earthquake resistance structures, particularly in seismically active regions. Shear wave velocity ( V _S) is a key parameter in such analysis, although the economy and other factors restrict its direct field measurement in many cases. Various V _S–SPT– N correlations are routinely incorporated in seismic hazard analysis to estimate the value of V _S. However, many uncertainties question the reliability of these estimated V _S values. This paper comes up with a statistical approach to take care of such uncertainties involved in V _S calculations. The measured SPT– N values from all the critical boreholes were converted into statistical parameters and passed through various correlations to estimate V _S at different depths. The effect of different soil layers in the boreholes on the Vs estimation was also taken into account. Further, the average shear wave velocity of the top 30 m soil cover ( V _S30) is estimated after accounting for various epistemic and aleatoric uncertainties. The scattering nature of the V _S values estimated using different V _S– N correlations was reduced significantly with the application of the methodology. Study results further clearly demonstrated the potential of the approach to eliminate various uncertainties involved in the estimation of V _S30 using general and soil-specific correlations.     

刮板输送机中板仿生耐磨优化试验研究

刮板输送机中板磨损失效已成为输送机运行故障的主要原因之一，为了提高中板耐磨性，基于蜣螂非光滑单元进行了仿生中板设计，以磨损量为响应值，进行了单因素和响应面法优化试验。根据响应面法试验结果得到的因素显著性影响顺序（从高至低）依次为：径向距离，深径比，直径，节距角。基于试验结果建立了磨损量与因素的回归预测模型，经试验对比发现，预测模型与真实试验的相对误差为3.2%。在特定工况（煤散料粒度为6~8 mm、载荷为20 N、刮板链速为0.65 m/s及试验时长为6 600 s）下，当深径比为1.41、直径为0.69 mm、节距角为6.55°和径向距离为4.66 mm时，磨损量最小，仿生中板的耐磨性提高了12.6%。分析其耐磨机理发现，与光滑板相比，仿生板的磨粒磨损及黏着磨损较轻。凹坑分布可破坏持续切削中板表面的煤粒运动状态。中板的仿生优化可为今后刮板输送机的设计提供一定参考。     

Reactive Oxygen and Nitrogen Species in Defense/Stress Responses Activated by Chitosan in Sycamore Cultured Cells

Chitosan (CHT) is a non-toxic and inexpensive compound obtained by deacetylation of chitin, the main component of the exoskeleton of arthropods as well as of the cell walls of many fungi. In agriculture CHT is used to control numerous diseases on various horticultural commodities but, although different mechanisms have been proposed, the exact mode of action of CHT is still unknown. In sycamore (Acer pseudoplatanus L.) cultured cells, CHT induces a set of defense/stress responses that includes production of H₂O₂ and nitric oxide (NO). We investigated the possible signaling role of these reactive molecules in some CHT-induced responses by means of inhibitors of production and/or scavengers. The results show that both reactive nitrogen and oxygen species are not only a mere symptom of stress conditions but are involved in the responses induced by CHT in sycamore cells. In particular, NO appears to be involved in a cell death form induced by CHT that shows apoptotic features like DNA fragmentation, increase in caspase-3-like activity and release of cytochrome c from the mitochondrion. On the contrary, reactive oxygen species (ROS) appear involved in a cell death form induced by CHT that does not show these apoptotic features but presents increase in lipid peroxidation.     

In Silico Analysis and Experimental Validation of Active Compounds from Cichorium intybus L. Ameliorating Liver Injury

This study aimed at investigating the possible mechanisms of hepatic protective activity of Cichorium intybus L. (chicory) in acute liver injury. Pathological observation, reactive oxygen species (ROS) detection and measurements of biochemical indexes on mouse models proved hepatic protective effect of Cichorium intybus L. Identification of active compounds in Cichorium intybus L. was executed through several methods including ultra performance liquid chromatography/time of flight mass spectrometry (UPLC-TOF-MS). Similarity ensemble approach (SEA) docking, molecular modeling, molecular docking, and molecular dynamics (MD) simulation were applied in this study to explore possible mechanisms of the hepato-protective potential of Cichorium intybus L. We then analyzed the chemical composition of Cichorium intybus L., and found their key targets. Furthermore, in vitro cytological examination and western blot were used for validating the efficacy of the selected compounds. In silico analysis and western blot together demonstrated that selected compound 10 in Cichorium intybus L. targeted Akt-1 in hepatocytes. Besides, compound 13 targeted both caspase-1 and Akt-1. These small compounds may ameliorate liver injury by acting on their targets, which are related to apoptosis or autophagy. The conclusions above may shed light on the complex molecular mechanisms of Cichorium intybus L. acting on hepatocytes and ameliorating liver injury.     

Developmental and Reproductive Effects of Iron Oxide Nanoparticles in Arabidopsis thaliana

Increasing use of iron oxide nanoparticles in medicine and environmental remediation has led to concerns regarding exposure of these nanoparticles to the public. However, limited studies are available to evaluate their effects on the environment, in particular on plants and food crops. Here, we investigated the effects of positive (PC) and negative (NC) charged iron oxide (Fe₂O₃) nanoparticles (IONPs) on the physiology and reproductive capacity of Arabidopsis thaliana at concentrations of 3 and 25 mg/L. The 3 mg/L treated plants did not show evident effects on seeding and root length. However, the 25 mg/L treatment resulted in reduced seedling (positive-20% and negative-3.6%) and root (positive-48% and negative-negligible) length. Interestingly, treatment with polyethylenimine (PEI; IONP-PC coating) also resulted in reduced root length (39%) but no change was observed with polyacrylic acid (PAA; IONP-NC coating) treatment alone. However, treatment with IONPs at 3 mg/L did lead to an almost 5% increase in aborted pollen, a 2%–6% reduction in pollen viability and up to an 11% reduction in seed yield depending on the number of treatments. Interestingly, the treated plants did not show any observable phenotypic changes in overall size or general plant structure, indicating that environmental nanoparticle contamination could go dangerously unnoticed.     

Effects of SO2 on selective catalytic reduction of NO with NH3 over a TiO2 photocatalyst

The effect of SO₂ gas was investigated on the activity of the photo-assisted selective catalytic reduction of nitrogen monoxide (NO) with ammonia (NH₃) over a TiO₂ photocatalyst in the presence of excess oxygen (photo-SCR). The introduction of SO₂ (300 ppm) greatly decreased the activity of the photo-SCR at 373 K. The increment of the reaction temperature enhanced the resistance to SO₂ gas, and at 553 K the conversion of NO was stable for at least 300 min of the reaction. X-ray diffraction, FTIR spectroscopy, thermogravimetry and differential thermal analysis, x-ray photoelectron spectroscopy (XPS), elemental analysis and N₂ adsorption measurement revealed that the ammonium sulfate species were generated after the reaction. There was a strong negative correlation between the deposition amount of the ammonium sulfate species and the specific surface area. Based on the above relationship, we concluded that the deposition of the ammonium sulfate species decreased the specific surface area by plugging the pore structure of the catalyst, and the decrease of the specific surface area resulted in the deactivation of the catalyst.     

Assessment of the different sources of uncertainty in a SWAT model of the River Senne (Belgium)

Although rainfall input uncertainties are widely identified as being a key factor in hydrological models, the rainfall uncertainty is typically not included in the parameter identification and model output uncertainty analysis of complex distributed models such as SWAT and in maritime climate zones. This paper presents a methodology to assess the uncertainty of semi-distributed hydrological models by including, in addition to a list of model parameters, additional unknown factors in the calibration algorithm to account for the rainfall uncertainty (using multiplication factors for each separately identified rainfall event) and for the heteroscedastic nature of the errors of the stream flow. We used the Differential Evolution Adaptive Metropolis algorithm (DREAM_(zs)) to infer the parameter posterior distributions and the output uncertainties of a SWAT model of the River Senne (Belgium). Explicitly considering heteroscedasticity and rainfall uncertainty leads to more realistic parameter values, better representation of water balance components and prediction uncertainty intervals.