Microstructural Modeling and Simulation of a Carbon Black-Based Conductive Polymer-A Template for the Virtual Design of a Composite Material.

Carbon black is the most frequently applied conductive additive in rubber and polymer composites. In this work, we show how a carbon black microstructure in a polymer matrix can be conclusively modeled based on carbon black aggregation as well as an agglomeration mechanism using a state-of-the-art mathematical model. This novel and flexible microstructural modeling method enables us to virtually investigate the morphology of conductive additives within a polymer matrix and can be adapted to many conductive polymer combinations used for different applications. Furthermore, we calculate the electrical conductivity of the composite using a finite volume-based as well as a discrete element-based simulation technique and validate the results with experimental data. Utilizing a novel discrete element method (DEM) modeling technique, we were able to improve calculation times by a factor of 12.2 compared to finite volume method (FVM) simulations while maintaining high accuracy. Using this approach, we are able to predict the required carbon black content and minimize the amount of additive to create a polymer composite with a designated target conductivity.

Exogenous application and interaction of biochar with environmental factors for improving functional diversity of rhizosphere's microbial community and health.

The usage of fertilizer with high nitrogen content in many countries, as well as its enormous surplus, has a negative impact on the soil ecological environment in agricultural system. This consumption of nitrogen fertilizer can be minimized by applying biochar to maintain the sufficient supply of nitrogen as nutrient to the near-root zone. This study investigated the effects of various amounts of biochar application (450, 900, 1350, and 1800 kg/hm2) and reduction of nitrogen fertilizer amount (10, 15, 20, and 25%) on the nutrients and microorganism community structure in rhizosphere growing tobacco plant. The microorganism community was found essential in improving nitrogen retention. Compared with conventional treatment, an application of biochar in rhizosphere soil increased the content of soil available phosphorus, organic matter and total nitrogen by 21.47%, 26.34%, and 9.52%, respectively. It also increased the abundance of microorganisms that are capable of degrading and utilizing organic matter and cellulose, such as Actinobacteria and Acidobacteria. The relative abundance of Chloroflexi was also increased by 49.67-78.61%, and the Acidobacteria increased by 14.79-39.13%. Overall, the application of biochar with reduced nitrogen fertilizer amount can regulate the rhizosphere microecological environment of tobacco plants and their microbial population structure, thereby promoting soil health for tobacco plant growth while reducing soil acidification and environmental pollution caused by excessive nitrogen fertilizer.

Soil carbon supplementation: Improvement of root-surrounding soil bacterial communities, sugar and starch content in tobacco (N. tabacum).

Soil carbon supplementation is known to stimulate plant growth by improving soil fertility and plant nutrient uptake. However, the underlying process and chemical mechanism that could explain the interrelationship between soil carbon supplementation, soil micro-ecology, and the growth and quality of plant remain unclear. In this study, we investigated the influence and mechanism of soil carbon supplementation on the bacterial community, chemical cycling, mineral nutrition absorption, growth and properties of tobacco leaves. The soil carbon supplementation increased amino acid, carbohydrates, chemical energy metabolism, and bacterial richness in the soil. This led to increased content of sugar (23.75%), starch (13.25%), and chlorophyll (10.56%) in tobacco leaves. Linear discriminant analysis revealed 49 key phylotypes and significant increment of some of the Plant Growth-Promoting Rhizobacteria (PGPR) genera (Bacillus, Novosphingobium, Pseudomonas, Sphingomonas) in the rhizosphere, which can influence the tobacco growth. Partial Least Squares Path Modeling (PLS-PM) showed that soil carbon supplementation positively affected the sugar and starch contents in tobacco leaves by possibly altering the photosynthesis pathway towards increasing the aroma of the leaves, thus contributing to enhanced tobacco flavor. These findings are useful for understanding the influence of soil carbon supplementation on bacterial community for improving the yields and quality of tobacco in industrial plantation.

Experimental Investigations of Micro-Meso Damage Evolution for a Co/WC-Type Tool Material with Application of Digital Image Correlation and Machine Learning.

Commercial Co/WC/diamond composites are hard metals and very useful as a kind of tool material, for which both ductile and quasi-brittle behaviors are possible. This work experimentally investigates their damage evolution dependence on microstructural features. The current study investigates a different type of Co/WC-type tool material which contains 90 vol.% Co instead of the usual <50 vol.%. The studied composites showed quasi-brittle behavior. An in-house-designed testing machine realizes the in-situ micro-computed tomography (µCT) under loading. This advanced equipment can record local damage in 3D during the loading. The digital image correlation technique delivers local displacement/strain maps in 2D and 3D based on tomographic images. As shown by nanoindentation tests, matrix regions near diamond particles do not possess higher hardness values than other regions. Since local positions with high stress are often coincident with those with high strain, diamonds, which aim to achieve composites with high hardnesses, contribute to the strength less than the WC phase. Samples that illustrated quasi-brittle behavior possess about 100-130 MPa higher tensile strengths than those with ductile behavior. Voids and their connections (forming mini/small cracks) dominant the detected damages, which means void initiation, growth, and coalescence should be the damage mechanisms. The void appears in the form of debonding. Still, it is uncovered that debonding between Co-diamonds plays a major role in provoking fatal fractures for composites with quasi-brittle behavior. An optimized microstructure should avoid diamond clusters and their local volume concentrations. To improve the time efficiency and the object-identification accuracy in µCT image segmentation, machine learning (ML), U-Net in the convolutional neural network (deep learning), is applied. This method takes only about 40 min to segment more than 700 images, i.e., a great improvement of the time efficiency compared to the manual work and the accuracy maintained. The results mentioned above demonstrate knowledge about the strengthening and damage mechanisms for Co/WC/diamond composites with >50 vol.% Co. The material properties for such tool materials (>50 vol.% Co) is rarely published until now. Efforts made in the ML part contribute to the realization of autonomous processing procedures in big-data-driven science applied in materials science.

[Effect of Biochar on Soil Enzyme Activity & the Bacterial Community and Its Mechanism].

Biochar-based fertilizers can improve the mineralization of carbon and nitrogen in soil and enhance the soil micro-ecological environment due to particular physical and chemical properties. It is of great significance to explore the underlying mechanism of biochar-based fertilizer in the regulation of soil microorganisms and soil enzyme activity to improve soil quality. Field experiments were conducted to investigate the effects of different biochar-based fertilizer rates[0 (CK2), 0.6 (T1), 0.9 (T2), 1.2 (T3), and 1.5 (T4) t·hm-2]on soil nutrients, soil enzyme activity, and bacterial community structure. The results showed that with the application of biochar-based fertilizer, soil bulk density decreased, while the pH value, available P, available K, organic matter content, and the C/N ratio increased by 0.32%-5.83%, 14.09%-23.16%, 0%-38.70%, 7.49%-14.16%, and 4.06%-10.13%, respectively, compared to that of the CK2 treatment. With increasing rates of biochar-based fertilizer, the enzyme activity first increased and then decreased. Invertase (INV), urease (URE), catalase (CAT), and neutral phosphatase (NPH) activity under the application of biochar-based fertilizer were 63.73%-166.37%, 117.52%-174.03%, 12.98%-23.59%, and 60.84%-119.71% higher than that of CK2, respectively. The corresponding bacterial diversity was significantly improved, especially with regard to the increase in the abundance of growth promoting bacteria, such as Gemmatimonadetes and Proteobacteria, and decreased the abundance of Acidobacteria and Actinobacteria. The correlation analysis showed that soil C/N ratio was the key factor affecting soil enzyme activity, and there was a significant positive correlation between soil enzyme activity and bacterial diversity. There were significantly positive correlations among the activities of the above four soil enzymes and the relative abundance of Gemmatimonadetes (P<0.01), with CAT being the key factor affecting the bacterial community structure. This study revealed a relationship between soil enzyme activity and microbial colonies, which provides a theoretical basis and mechanism for applying biochar to regulate the soil enzyme and micro-ecological environment.

Soil amendment in plastic greenhouse using modified biochar: soil bacterial diversity responses and microbial biomass carbon and nitrogen.

Excessive application of chemical fertilizer and continuous cropping in plastic greenhouse resulted in soil quality decline. The decrease of soil C/N ratio and the imbalance of soil carbon pool structure have brought new challenges to soil health, crop yield and sustainable agricultural development. OBJECTIVES: The experiment was set up to explore the effect of modified biochar on soil bacterial community structure, and the correlation between soil environmental factors and bacterial community structure changes. Based on the plot experiment in the field, the effect of modified biochar was studied via high-throughput MiSeq sequencing. RESULTS: Compared with the control (CK), the modified biochar (T) significantly increased soil water content, microbial biomass carbon (MBC), microbial biomass nitrogen (MBN) content and the ratio of MBC and MBN by 7.92%, 24.58%, 2.07% and 18.95%. Diversity index analysis showed that the application of modified biochar significantly increased the Shannon index, ACE index and Chao1 index of the bacterial community by 3.05%, 5.07% and 5.24%. Compared with the control, the modified biochar decreased the relative abundance of Actinobacteriota and Chloroflex by 6.81% and 2.19%, and increased the relative abundance of Proteobacteria and Acidobacteriota by 7.34% and 12.52%. Correlation analysis shows that soil bulk density and water content may be important related factors that affect bacterial community structure. CONCLUSIONS: This study provides a theoretical basis for the directional control of modified biochar in the soil microecological environment in plastic greenhouse, which is conducive to healthy and sustainable farming.

Soil type regulates carbon and nitrogen stoichiometry and mineralization following biochar or nitrogen addition.

Most studies on the effects of biochar and fertilizer on soil carbon (C) and nitrogen (N) mineralization, and microbial C and N content, are restricted to a single soil type, limiting our understanding of the interactions between these factors and microbial functions. To address this paucity in knowledge, we undertook a 3-year experiment using four contrasting soils to assess the role of peanut shell biochar and fertilizer on C and N mineralization, microbial C and N, and N stoichiometry. Across all four soils, biochar significantly (P < 0.05) increased soil carbon mineralization (Cmin) and nitrogen mineralization (Nmin) over three years compared to fertilizer and the control. Biochar also increased total C (Csoil) across the four soils in year 1, with the Fluvisol recording greater total C in year 2 and Phaeozem having greater total C in year 3. Biochar resulted in a higher microbial biomass C (Cmic), total N (Nsoil) and microbial biomass N (Nmic); the degree of change was closely related to Csoil and Nsoil. There was a positive correlation between Cmic:Nmic and Csoil:Nsoil; while Csoil and Cmic increased following amendment with biochar, which reduced the soil C and N stoichiometric imbalance (Nimb) caused by the increase in the C to N ratio. However, fertilizer exacerbated the imbalance of soil C and N stoichiometry. Fertilizer also reduced the Csoil:Nsoil and Cmic:Nmic ratios. Soil pH had a positive correlation with Csoil, Cmic, Nmic, Cmin, Nmin, Csoil:Nsoil, Cmic:Nmic, and biochar increases this correlation. The soil pH was negatively correlated with Cimb:Nimb and Nsoil. Fertilizer was positively correlated Cimb:Nimb and Nsoil. In contrast, fertilizer N application lowered microbial biomass C:N. We conclude that biochar reduces the imbalance of soil C and N stoichiometry, whereas fertilizer increased this imbalance. Biochar had a greater impact on C and N in soils with a lower pH.

Biochar for cadmium pollution mitigation and stress resistance in tobacco growth.

Pot experiments were conducted to investigate the influence of biochar addition and the mechanisms that alleviate Cd stress in the growth of tobacco plant. Cadmium showed an inhibitory effect on tobacco growth at different post-transplantation times, and this increased with the increase in soil Cd concentration. The growth index decreased by more than 10%, and the photosynthetic pigment and photosynthetic characteristics of the tobacco leaf were significantly reduced, and the antioxidant enzyme activity was enhanced. Application of biochar effectively alleviated the inhibitory effect of Cd on tobacco growth, and the alleviation effect of treatments is more significant to the plants with a higher Cd concentration. The contents of chlorophyll a, chlorophyll b, and carotenoids in the leaves of tobacco plants treated with biochar increased by 9.99%, 12.58%, and 10.32%, respectively, after 60 days of transplantation. The photosynthetic characteristics index of the net photosynthetic rate increased by 11.48%, stomatal conductance increased by 11.44%, and intercellular carbon dioxide concentration decreased to 0.92. Based on the treatments, during the growth period, the antioxidant enzyme activities of tobacco leaves comprising catalase, peroxidase, superoxide dismutase, and malondialdehyde increased by 7.62%, 10.41%, 10.58%, and 12.57%, respectively, after the application of biochar. Our results show that biochar containing functional groups can effectively reduce the effect of Cd stress by intensifying the adsorption or passivation of Cd in the soil, thereby, significantly reducing the Cd content in plant leaves, and providing a theoretical basis and method to alleviate soil Cd pollution and effect soil remediation.