Designing optical glasses by machine learning coupled with a genetic algorithm

Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties. First, we induced predictive models for the glass transition temperature (T_g) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (n_d) using a dataset of 41,225 compositions with 38 different chemical elements. Then, we searched for relevant glass compositions using a genetic algorithm informed by a design trend of glasses having high n_d (1.7 or more) and low T_g (500 °C or less). Two candidate compositions suggested by the combined algorithms were selected and produced in the laboratory. These compositions are significantly different from those in the datasets used to induce the predictive models, showing that the used method is indeed capable of exploration. Both glasses met the constraints of the work, which supports the proposed framework. Therefore, this new tool can be immediately used for accelerating the design of new glasses. These results are a stepping stone in the pathway of machine learning-guided design of novel glasses.     

Two-step sinter-crystallization of K2O–CaO–P2O5–SiO2 (45S5-K) bioactive glass

Bioactive glasses and glass-ceramics (GCs) effectively regenerate bone tissue, however most GCs show improved mechanical properties. In this work, we developed and tested a rarely studied bioactive glass composition (24.4K₂O-26.9CaO-46.1SiO₂-2.6P₂O₅ mol%, identified as 45S5-K) with different particle sizes and heating rates to obtain a sintered GC that combines good fracture strength, low elastic modulus, and bioactivity. We analyzed the influence of the sintering processing conditions in the elastic modulus, Vickers microhardness, density, and crystal phase formation in the GC. The best GC shows improved properties compared with its parent glass. This glass achieves a good densification degree with a two-step viscous flow sintering approach and the resulting GC shows as high bioactivity as that of the standard 45S5 Bioglass®. Furthermore, the GC elastic modulus (56 GPa) is relatively low, minimizing stress shielding. Therefore, we unveiled the glass sintering behavior with concurrent crystallization of this complex bioactive glass composition and developed a potential GC for bone regeneration.     

Phytoplankton primary production, chlorophyll-a and nutrient concentrations in the water column of mountainous Lake Phewa, Nepal

The seasonal patterns of phytoplankton primary production, chlorophyll‐a concentration, cell number and several other limnological variables in Lake Phewa, located in the active monsoon zone in Central Himalaya, Nepal, were studied for a year beginning in April 2001. During the study period, the gross primary production and chlorophyll‐a concentrations were relatively low during the monsoon season. The phytoplankton cell number, represented by 24 genera, also fluctuated seasonally, but tended to increase in the pre‐ and post‐monsoon period. These results suggest that the monsoon plays a crucial role in the primary production and phytoplankton dynamics for Lake Phewa. Among the phytoplankton species, Microcystis aeruginosa, a representative species for eutrophic lakes, was the dominant phytoplankton. At the same time, however, it is clear that the lake is not yet heavily eutrophic. The present study suggests that the exchange of lake water during the monsoon season contributes to maintaining the health of the lake against further degradation. Nevertheless, the silt carried in the monsoon rain run‐off from the lake's catchment area suggests increasingly serious degradation problems for this small mountainous lake.     

Comprehensive heat exchange model for a semiconductor laser diode

By measuring the total energy flow from an optical device, we can develop new design strategies for thermal stabilization. Here we present a comprehensive model for heat exchange between a semiconductor laser diode and its environment that includes the mechanisms of conduction, convection, and radiation. We perform quantitative measurements of these processes for several devices, deriving parameters such as a laser's heat transfer coefficient, and then demonstrate the feasibility of thermal probing for the nondestructive wafer-scale characterization of optical devices.     

A comprehensive study of hazelnut oil composition with comparisons to other vegetable oils,particularly olive oil.

Crude and refined hazelnut oils from different countries were characterised by major and minor compounds. Fatty acids, triacylglycerides, waxes, sterols, methyl-sterols, terpenic and aliphatic alcohols, tocopherols, tocotrienols and hydrocarbons were identified and quantified by gas chromatography and high-performance liquid chromatography. The levels of these chemical compounds in hazelnut oils together with the equivalent carbon numbers and triacylglyceride carbon numbers, were compared with the results of analyses of samples of other vegetable oils. The statistical procedure of cluster analysis was used to characterise hazelnut oils versus other edible oils.     

Sulfated zirconia catalysts: Are Brønsted acid sites the source of the activity?

The thermal decomposition products of pyridinium sulfate differ from those of pyridinium sulfate supported on zirconia which in turn differs from that of pyridine adsorbed on a sulfated zirconia. Unsupported pyridinium sulfate decomposes to produce pyridine and sulfuric acid, and these subsequently react to produce oxides of carbon and sulfur. Zirconia that is sulfated and then exposed to pyridine does not release detectable amount of pyridine during heating in an inert gas; rather the pyridine undergoes oxidation reduction reactions simultaneously to release CO₂ and sulfur compounds. Pyridinium sulfate supported on zirconia decomposes upon heating to release pyridine and sulfuric acid, which reacts with the zirconia. The desorption of pyridine in one case and only CO₂/SO_x in the other case suggests that sulfated zirconia does not contain Brønsted acidity that can form pyridinium sulfate.     

Power sector development in India with CO2 emission targets: Effects of regional grid integration and the role of clean technologies

The power sector in India at present comprises of five separate regional electricity grids having practically no integrated operation in between them. This study analyses the utility planning, environmental and economical effects of integrated power sector development at the national level in which the regional electric grids are developed and operated as one integrated system. It also examines the effects of selected CO₂ emission reduction targets in the power sector and the role of renewable power generation technologies in India. The study shows that the integrated development and operation of the power system at the national level would reduce the total cost including fuel cost by 4912 million $, total capacity addition by 2784 MW, while the emission of CO₂, SO₂ and NO_x would be reduced by 231.6 (1.9%), 0.8 (0.9%), 0.4 (1.2%) million tons, respectively, during the planning horizon. Furthermore, the study shows that the expected unserved energy, one of the indices of generation system reliability, would decrease to 26 GWh under integrated national power system from 5158 GWh. As different levels of CO₂ emission reduction targets were imposed, there is a switching of generation from conventional coal plants to gas fired plants, clean coal technologies and nuclear based plants. As a result the capacity expansion cost has increased. It was found that wind power plant is most attractive and economical in the Indian perspective among the renewable options considered (Solar, wind and biomass). Copyright © 2003 John Wiley & Sons, Ltd.