Optimal Demand Shut-offs of AC Microgrid using AO-SBQP Method

Microgrids are increasingly being utilized to improve the resilience and operational flexibility of power grids, and act as a backup power source during grid outages. However, it necessitates that the microgrid itself could provide power to the critical loads. This paper presents an algorithm named alternating optimization based sequential boolean quadratic programming tailored for solving optimal demand shut-offs problems arising in microgrids. Moreover, we establish local superlinear convergence of the proposed approximate Boolean quadratic programming method over nonconvex problems. In the end, the performance of the proposed method is illustrated on the modified IEEE 30-bus case study

Towards high-throughput microstructure simulation in compositionally complex alloys via machine learning

The coupling of computational thermodynamics and kinetics has been the central research theme in Integrated Computational Material Engineering (ICME). Two major bottlenecks in implementing this coupling and performing efficient ICME-guided high-throughput multi-component industrial alloys discovery or process parameters optimization, are slow responses in kinetic calculations to a given set of compositions and processing conditions and the quality of a large amount of calculated thermodynamic data. Here, we employ machine learning techniques to eliminate them, including (1) intelligent corrupt data detection and re-interpolation (i.e. data purge/cleaning) to a big tabulated thermodynamic dataset based on an unsupervised learning algorithm and (2) parameterization via artificial neural networks of the purged big thermodynamic dataset into a non-linear equation consisting of base functions and parameterization coefficients. The two techniques enable the efficient linkage of high-quality data with a previously developed microstructure model. This proposed approach not only improves the model performance by eliminating the interference of the corrupt data and stability due to the boundedness and continuity of the obtained non-linear equation but also dramatically reduces the running time and demand for computer physical memory simultaneously. The high computational robustness, efficiency, and accuracy, which are prerequisites for high-throughput computing, are verified by a series of case studies on multi-component aluminum, steel, and high-entropy alloys. The proposed data purge and parameterization methods are expected to apply to various microstructure simulation approaches or to bridging the multi-scale simulation where handling a large amount of input data is required. It is concluded that machine learning is a valuable tool in fueling the development of ICME and high throughput materials simulations.publishedVersio

Genome-wide association analysis identifies 30 new susceptibility loci for schizophrenia

We conducted a genome-wide association study (GWAS) with replication in 36,180 Chinese individuals and performed further transancestry meta-analyses with data from the Psychiatry Genomics Consortium (PGC2). Approximately 95% of the genome-wide significant (GWS) index alleles (or their proxies) from the PGC2 study were overrepresented in Chinese schizophrenia cases, including ∼50% that achieved nominal significance and ∼75% that continued to be GWS in the transancestry analysis. The Chinese-only analysis identified seven GWS loci; three of these also were GWS in the transancestry analyses, which identified 109 GWS loci, thus yielding a total of 113 GWS loci (30 novel) in at least one of these analyses. We observed improvements in the fine-mapping resolution at many susceptibility loci. Our results provide several lines of evidence supporting candidate genes at many loci and highlight some pathways for further research. Together, our findings provide novel insight into the genetic architecture and biological etiology of schizophrenia

Expanded S-Curve Model of Relationship between Domestic Water Usage and Economic Development: A Case Study of Typical Countries

Domestic water plays a growing role with the unprecedented economic development and rising urbanization. The lack of long-term evaluation of domestic water usage trends limits our understanding of the relationship between domestic water usage and economics. Here, we present a pragmatic approach to assess the long-term relationship between domestic water usage and economics through historical data of the last 100 years from 10 typical countries to establish an evaluation method for different economics. The relationship between domestic water usage and GDP per capita was described as an expanded S-curve model and the mathematical modeling was derived to simulate this relationship for four typical countries as case studies. The simulation results show that the expanded S-curve of different countries can be calibrated with three key points: takeoff point, turning point, and zero-growth point, and four transitional sections: slow growth, accelerated growth, decelerated growth, and zero/negative growth, corresponding to the same economic development level. In addition, other factors influencing domestic water usage are also discussed in this research, including urbanization, industrial structure, and technical progress. We hope to provide a case study of an expanded S-curve as a foundation for forecasting domestic water usage in different countries or in the same economy at different developmental stages

Expanded S-Curve Model of Relationship between Domestic Water Usage and Economic Development: A Case Study of Typical Countries

Domestic water plays a growing role with the unprecedented economic development and rising urbanization. The lack of long-term evaluation of domestic water usage trends limits our understanding of the relationship between domestic water usage and economics. Here, we present a pragmatic approach to assess the long-term relationship between domestic water usage and economics through historical data of the last 100 years from 10 typical countries to establish an evaluation method for different economics. The relationship between domestic water usage and GDP per capita was described as an expanded S-curve model and the mathematical modeling was derived to simulate this relationship for four typical countries as case studies. The simulation results show that the expanded S-curve of different countries can be calibrated with three key points: takeoff point, turning point, and zero-growth point, and four transitional sections: slow growth, accelerated growth, decelerated growth, and zero/negative growth, corresponding to the same economic development level. In addition, other factors influencing domestic water usage are also discussed in this research, including urbanization, industrial structure, and technical progress. We hope to provide a case study of an expanded S-curve as a foundation for forecasting domestic water usage in different countries or in the same economy at different developmental stages

Harnessing Data Augmentation and Normalization Preprocessing to Improve the Performance of Chemical Reaction Predictions of Data-Driven Model

As a template-free, data-driven methodology, the molecular transformer model provides an alternative by which to predict the outcome of chemical reactions and design the route of the retrosynthetic plane in the field of organic synthesis and polymer chemistry. However, in consideration of the small datasets of chemical reactions, the data-driven model suffers from the difficulty of low accuracy in the prediction tasks of chemical reactions. In this contribution, we integrate the molecular transformer model with the strategies of data augmentation and normalization preprocessing to accomplish the three tasks of chemical reactions, including the forward predictions of chemical reactions, and single-step retrosynthetic predictions with and without the reaction classes. It is clearly demonstrated that the prediction accuracy of the molecular transformer model can be significantly raised by the use of proposed strategies for the three tasks of chemical reactions. Notably, after the introduction of the 40-level data augmentation and normalization preprocessing, the top-1 accuracy of the forward prediction increases markedly from 71.6% to 84.2% and the top-1 accuracy of the single-step retrosynthetic prediction with additional reaction class increases from 53.2% to 63.4%. Furthermore, it is found that the superior performance of the data-driven model originates from the correction of the grammatical errors of the SMILES strings, especially for the case of the reaction classes with small datasets

A Phosphotungstic Acid Catalyst for Depolymerization in Bulrush Lignin

Obtaining renewable fuels and chemicals from lignin is an important challenge in the use of biomass to achieve sustainability and energy goals. At present, acid-based catalysts for lignin depolymerization are considered to be a potential but challenging way to produce low-molecular-mass aromatic chemicals. The main concerns with the use of Lewis acids and zeolite catalysts are the corrosive nature of the acids, the possible formation of unwanted byproducts, and the possible formation of harsh reaction conditions. We achieved high-yield conversion using phosphotungstic acid (PTA) polyoxometalate catalysts in ethanol/water under different reaction conditions with little formation of bio-char. The monomeric products were mainly composed of various types of aromatic compounds. Our method does not require the use of precious metals and harsh reaction conditions—it only requires relatively mild reaction conditions and homogeneous catalysis—thereby greatly reducing operating costs and increasing the yields. Therefore, this PTA catalyst, which has excellent performance in bulrush lignin catalysis, would be a good alternative to the traditional catalysts used in lignin depolymerization and have wide application in biomass use

Investigation on the Operating Conditions of Proton Exchange Membrane Fuel Cell Based on Constant Voltage Cold Start Mode

The cold start property is one of the main factors restricting the fuel cell application in the automotive field. The constant voltage cold start method of the fuel cell works under low start voltage and produces high heat, which can shorten the start-up time of the fuel cell at low temperature and has the opportunity to be applied to fuel cell vehicles. Meanwhile, in the constant voltage cold start mode, the fuel cell needs to operate under a large current, and more water is generated during the start-up process. Thus, the optimization of operating conditions for the constant voltage cold start is particularly important. However, there are relatively few studies on the optimization of operating conditions for the constant voltage cold start with a single-cell voltage less than 0.3 V. In this work, the cold start experiment of the fuel cell with constant voltage is carried out. According to the cold start experiment, the different cold start voltage, back-pressure, and the inlet flow rate are examined. Based on the experiment data, the operating conditions have a great influence on the cold start property of the fuel cell and the optimized operating conditions of the constant voltage cold start are obtained