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Records Added in April 2023
Records added in April 2023
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Showing records 101 to 125 of 9292. [First] Page: 1 2 3 4 5 6 7 8 9 Last
Efficiency of Implementing Climate/Energy Targets of the Europe 2020 Strategy and the Structural Diversity between Old and New Member States
Malgorzata Klaudia Guzowska, Barbara Kryk
April 28, 2023 (v1)
Subject: Energy Policy
Keywords: climate/energy targets, efficiency, Europe 2020 Strategy, old and new member states
The most important goals included in the Europe 2020 Strategy are climate/energy targets, which determine not only the achievement of its other goals but also climate neutrality by 2050. This article aims to assess the efficiency of implementing the climate/energy targets of the Europe 2020 Strategy and to analyse changes over time, taking into consideration the structural diversity between the old (EU 15) and new EU members (EU 13) in the period of 2014−2018. The assessment of changes in the efficiency of climate/energy targets over time adds value to the evaluation methods used to date in this area. This was done using data envelopment analysis (DEA) and the Malmquist index. Earlier works usually specified only the level of target achievement, mostly jointly in relation to all of the goals of the Europe 2020 Strategy. The efficiency of their implementation at the macroeconomic level has not been studied. Furthermore, the added value of this paper consists in obtaining additional info... [more]
Selected Problems of Power MOSFETs Thermal Parameters Measurements
Krzysztof Górecki, Krzysztof Posobkiewicz
April 28, 2023 (v1)
Keywords: measurements, power MOSFETs, thermal parameters, thermal resistance, transient thermal impedance
In the paper, selected problems that are related to the measurements of thermal parameters of power MOSFETs that are placed on a common heat sink are analysed. The application of the indirect electrical method, the contact method, and the optical method in measuring self and mutual transient thermal impedances of these transistors is presented. The circuits that are required to perform measurements are presented and described. The errors of measurements are assessed for each of the considered methods. In the case of the indirect electrical method, an additional influence of the selection of a thermo-sensitive parameter and the function approximating thermometric characteristics on the measurement error are taken into consideration. The measurement results of the thermal parameters of the investigated transistors that were obtained using the considered measurement methods in various supply conditions are presented and discussed.
Modified Horizontal Well Productivity Model for a Tight Gas Reservoir Subjected to Non-Uniform Damage and Turbulence
Samuel O. Osisanya, Ajayi Temitope Ayokunle, Bisweswar Ghosh, Abhijith Suboyin
April 28, 2023 (v1)
Keywords: horizontal well, non-uniform damage, productivity model, skin, tight gas reservoir
Tight gas reservoirs are finding greater interest with the advancement of technology and realistic prediction of flow rate and pressure from such wells are critical in project economics. This paper presents a modified productivity equation for tight gas horizontal wells by modifying the mechanical skin factor to account for non-uniform formation damage along with the incorporation of turbulence effect in the near-wellbore region. Hawkin’s formula for calculating skin factor considers the radius of damage as a constant value, which is less accurate in low-permeability tight gas reservoirs. This paper uses a multi-segment horizontal well approach to develop the local skin factors and the equivalent skin factor by equating the total production from the entire horizontal well to the sum of the flow from individual segmented damaged zones along the well length. Conical and horn-shaped damaged profiles are used to develop the equivalent skin used in the horizontal well productivity equation.... [more]
Economic Evaluation of an Ammonia-Fueled Ammonia Carrier Depending on Methods of Ammonia Fuel Storage
Youngkyun Seo, Seongjong Han
April 28, 2023 (v1)
Keywords: ammonia, ammonia carrier, ammonia-fueled ship, economic evaluation, life cycle cost
This study proposed two concepts for ammonia fuel storage for an ammonia-fueled ammonia carrier and evaluated these concepts in terms of economics. The first concept was to use ammonia in the cargo tank as fuel and the second concept was to install an additional independent fuel tank in the vessel. When more fuel tanks were installed, there was no cargo loss. However, there were extra costs for fuel tanks. The target ship was an 84,000 m3 ammonia carrier (very large gas carrier, VLGC). It traveled from Kuwait to South Korea. The capacity of fuel tanks was 4170 m3, which is the required amount for the round trip. This study conducted an economic evaluation to compare the two proposed concepts. Profits were estimated based on sales and life cycle cost (LCC). Results showed that sales were USD 1223 million for the first concept and USD 1287 million for the second concept. Profits for the first and second concepts were USD 684.3 million and USD 739.5 million, respectively. The second conce... [more]
Combined Light and Electron Scattering for Exploring Proximity Effects on Hydrogen Absorption in Vanadium
Wen Huang, Xin Xiao, Parker Steichen, Sotirios A. Droulias, Martin Brischetto, Max Wolff, Xing’ao Li, Björgvin Hjörvarsson
April 28, 2023 (v1)
Subject: Materials
Keywords: hydrogen absorption, light transmission, proximity effect, resistivity, vanadium
We investigate proximity effects on hydrogen absorption in ultra-thin vanadium layers through combing light transmission and electron scattering. We compare the thermodynamic properties of the vanadium layers, which are based on the superlattice structure of Cr/V (001) and Fe/V (001). We find an influence of the proximity effects on the finite-size scaling of the critical temperatures, which can be explained by a variation of dead layers in the vanadium. In addition to this, the proximity effects on hydrogen absorption are also verified from the changes of excess resistivity.
Performance Evaluation of a Maisotsenko Cycle Cooling Tower with Uneven Length of Dry and Wet Channels in Hot and Humid Conditions
Xuchen Fan, Xiaofeng Lu, Jiping Wang, Zilong Li, Quanhai Wang, Zhonghao Dong, Rongdi Zhang
April 28, 2023 (v1)
Keywords: Maisotsenko cycle, parallel counter-flow arrangement fills, wet cooling tower, wet-bulb effectiveness
The use of the Maisotsenko cycle (M-Cycle) in traditional wet cooling towers (TWCTs) has the potential to reduce the costs of electricity generation by cooling water below the inlet air’s wet-bulb temperature. TWCTs cannot provide sufficient cooling capacity for the increasing demand for cooling energy in the power and industrial sectors—especially in hot and wet climates. Due to this fact, an experimental system of an M-Cycle cooling tower (MCT) with parallel counter-flow arrangement fills was constructed in order to provide perspective on the optimal length of dry channels (ldry), thermal performance under different conditions, and pressure drops of the MCT. Results showed that the optimal value of ldry was 2.4 m, and the maximum wet-bulb effectiveness was up to 180%. In addition, the impact of air velocity in wet channels on the pressure drops of the novel fills was also summarized. This study confirms the great potential of using the M-Cycle in TWCTs, and provides a guideline for t... [more]
Nonylphenol Ethoxylate Surfactants Modified by Carboxyl Groups for Foam EOR at High-Salinity Conditions
Emil R. Saifullin, Shinar Zhanbossynova, Dmitrii A. Zharkov, Roman S. Pavelyev, Chengdong Yuan, Mikhail A. Varfolomeev, Ulukbek Zh. Mirzakimov, Sergey Yu. Ivanov, Sergey A. Sitnov
April 28, 2023 (v1)
Subject: Materials
Keywords: carboxylated ethoxylated nonylphenol, chemical EOR, foam, high-salinity water, surfactant
High mineralization of water complicates the use of foam in reservoir conditions. Anionic−nonionic surfactants are one of the best candidates for these conditions since they have both high surface activity and salt tolerance. One of the ways to obtain anionic−nonionic surfactants is to modify nonionic surfactants by an anionic group. The type of the group and its chemical structure can strongly affect the properties of the surfactant. In this work, widely-produced nonionic surfactant nonylphenol (12) ethoxylate (NP12EO) was modified by new types of carboxylic groups through the implementation of maleic (NP12EO-MA) and succinic (NP12EO-SA) anhydrides with different saturation levels. The main objectives of this work were to compare synthesized surfactants with nonionic precursor and to reveal the influence of unsaturated bonds in the carboxyl group on the properties of the foam. NaCl concentration up to 20 wt% was used to simulate high mineralization conditions, as well as to assess the... [more]
The Influencing Effects of Industrial Eco-Efficiency on Carbon Emissions in the Yangtze River Delta
Zaijun Li, Xiang Zheng, Dongqi Sun
April 28, 2023 (v1)
Subject: Environment
Keywords: carbon emissions, industrial eco-efficiency, spatial econometric model, spatio-temporal correlation, Yangtze River Delta
A low-carbon economy is the most important requirement to realize high-quality integrated development of the Yangtze River Delta. Utilizing the following models: a super-efficiency slacks-based measure model, a spatio-temporal correlation model, a bivariate LISA model, a spatial econometric model, and a geographically weighted random forest model, this study measured urban industrial eco-efficiency (IEE) and then analyzed its influencing effects on carbon emission in the Yangtze River Delta from 2000 to 2017. The influencing factors included spatio-temporal correlation intensity, spatio-temporal association type, direct and indirect impacts, and local importance impacts. Findings showed that: (1) The temporal correlation intensity between IEE and scale efficiency (SE) and carbon emissions exhibited an inverted V-shaped variation trend, while the temporal correlation intensity between pure technical efficiency (PTE) and carbon emissions exhibited a W-shaped fluctuation trend. The negati... [more]
Can Electric Bicycles Enhance Leisure and Tourism Activities and City Happiness?
Hsiao-Hsien Lin, Chih-Chien Shen, I-Cheng Hsu, Pei-Yi Wu
April 28, 2023 (v1)
Subject: Other
Keywords: city happiness, experience value, green means of transportation, leisure involvement, leisure satisfaction
Using Meizhou City as an example, the aim of this study was to verify whether e-bike sharing systems can improve the convenience of engaging in leisure and tourism activities in cities, and thus increase residents’ well-being. First, quantitative research was carried out to collect data on users’ opinions. Then, qualitative research was carried out to obtain the opinions of experts. Finally, the investigation was conducted using multivariate review analysis. The results of the research showed that e-bikes should be classified based on electric quantity, the rental fee should be charged based on mileage, and the relevant corporate information should be integrated. It is also necessary to develop a software interface with functions for users to rent e-bikes and search for information related to consumption, leisure, and travel activities, and make promotion plans. Finally, people need to be encouraged to cycle to obtain the benefits of leisure and exercise. In this manner, the convenienc... [more]
Experimental Investigation of Rotating Instability in an Axial Compressor with a Steady Swirl Distortion Inlet
Rong Xu, Jun Hu, Xuegao Wang, Chao Jiang, Jiajia Ji
April 28, 2023 (v1)
Keywords: dynamic pressure measurement, rotating instability, stall inception, steady paired swirl distortion, tip clearance flow
In this paper, an experimental study was carried out on the rotating instability in an axial compressor subjected to inlet steady paired swirl distortion. In order to deepen the understanding of the rotating stall mechanism under inlet steady paired swirl distortion, the dynamic-wall static pressure near the rotor tip was monitored to characterize the flow in the rotor tip region at different circumferential stations. In the experiment, the dynamic characteristics of the rotor tip flow field at a stable operating point and during the process from the stable point to complete stall were measured. The results indicated that for the compressor with a 2 mm rotor tip clearance, the inlet paired swirl distortion induced rotating instability (RI) near the stall point, causing the compressor to enter stall in advance. Compared with the RI intensity of the clean inlet, the distortion with a swirling blade stagger angle (αs) of ±20° increased the RI intensity up to 69.8%, while for αs equal to ±... [more]
Tailor-Made Phosphorylated Polyvinyl Alcohol/Tungsten Polyoxometalate Proton Exchange Membrane for a Bio-Electrochemical Energy Storage System
Vassili Glibin, Vahid Vajihinejad, Victor Pupkevich, Dimitre G. Karamanev
April 28, 2023 (v1)
Keywords: bio-electrochemical system, Energy Storage, lacunary tungsto-phosphate, proton exchange membrane
In this work, the synthesis of a phosphorylated polyvinyl alcohol (p-PVA)/polyoxometalate (tungsto-phosphate) membrane for the BioGenerator, a bio-electrochemical energy storage technology, is reported. It was shown that bonding of lacunary tungsto-phosphate ions to the carbon skeleton of a polymer matrix results in an increase in proton conductivity of up to 2.7 times, compared to previously studied phosphorylated PVA membranes. Testing of the membrane in an actual Fe3+/H2 electrochemical cell showed that it performs significantly better (0.28 W·cm−2 at 0.79 A·cm−2) than the previously used commercial Selemion HSF (Japan) membrane (0.18 W·cm−2 at 0.60 A·cm−2).
Multiple Correspondence Analysis in the Study of Remuneration Fairness: Conclusions for Energy Companies—Case Study of Poland
Agnieszka Barczak, Natalia Marska-Dzioba, Tomasz Rostkowski, Dorota Rozmus
April 28, 2023 (v1)
Subject: Other
Keywords: employees in energy companies, issues of labour market in energy companies, labour economics, multiple correspondence analysis
Finding a fair system of rewarding employees in energy companies and its influence on their motivation to perform their duties is a problem faced by many economic entities. Therefore, the aim of the article is to initially direct further research, taking into account the basic characteristics of employees such as age, gender and level of education, in order to verify whether and to what extent it is necessary to dedicate the communication of the remuneration system to the needs of selected groups. Multiple correspondence analysis was used to analyse the data obtained from the questionnaires, examining the subjective evaluation of professional remuneration with regard to age, gender and level of education of the respondents in energy companies. The results obtained indicate that all enumerated features have an impact on the perception of work remuneration systems. It is also possible to adjust the applied remuneration solutions and the methods and content of messages to particular group... [more]
Wireless Rechargeable Sensor Networks
Chang-Wu Yu
April 28, 2023 (v1)
Wireless sensor networks have attracted much attention recently due to their various applications in many fields [...]
Anisotropic Analysis of Etch Rates for Sapphire Based on a Layer-by-Layer Removal Model of Surface Atoms
Yang Li, Guorong Wu
April 28, 2023 (v1)
Subject: Materials
Keywords: anisotropy, atomic structure, layer-by-layer removal model of surface atoms, sapphire
In this paper, a layer-by-layer removal model of surface atoms (Al) is established according to the atomic structure of sapphire, which can accurately calculate etch rates of crystal planes and analyze the anisotropy of etch rates of sapphire. Firstly, etch rate distributions of sapphire are gained through different etching experiments of sapphire hemispheres, and the effect of concentrations of the etching solution on etch rate distributions are analyzed. Then, different types of surface atoms are classified based on the types of chemical bonds of surface atoms, the arrangement laws of surface atoms of different crystal planes are analyzed and a general formula for calculating etch rates of different planes is proposed. Finally, the effectiveness of the layer-by-layer removal model of surface atoms (Al) is proved by small errors between calculated rates of the model and experimental rates at different concentrations, and the factors affecting the anisotropy of etch rates of sapphire a... [more]
Studies of Niobium Sorption from Chloride Solutions with the Use of Anion-Exchange Resins
Almagul Ultarakova, Zaure Karshyga, Nina Lokhova, Azamat Yessengaziyev, Kaisar Kassymzhanov, Arailym Mukangaliyeva
April 28, 2023 (v1)
Subject: Materials
Keywords: anion-exchange resin, distribution coefficient, exchange capacity, Extraction, niobium, sorption
This paper presents the results of studies for niobium sorption from chloride solutions with the use of anion-exchange organic sorbents: Amberlite IRA-67, Purolite A-100, AB-17-8, and AN-2FN. Niobium sorption was performed from model niobium-containing solutions. Data on comparative sorption characteristics of the studied sorbents were obtained, and the static exchange capacity of the sorbents, values of distribution coefficients, and extraction degree during the niobium sorption from chloride solutions were calculated. The Purolite A-100 anion-exchange resin exhibited the highest affinity for niobium ions under the conditions studied. Its distribution coefficient was 184 mL/g; the niobium extraction degree was 41.5%. To study the equilibrium sorption of niobium from solution on the Purolite A-100 anionite, three well-known models of isotherms were applied: Langmuir, Freundlich, and Dubinin−Radushkevich. The data obtained confirm the good agreement of the Langmuir model with the result... [more]
Feasibility Study on Space Reorientation for Liquid Hydrogen Tanks by Means of Evaporated Exhaust Gas
Jiajia Liang, Yuan Ma, Yanzhong Li, Lei Wang, Xiaozhong Luo
April 28, 2023 (v1)
Keywords: exhaust reorientation, heat leak, liquid hydrogen tank, thermal equilibrium
A thermal equilibrium model is established to investigate the heat leak of a space liquid hydrogen tank under different thermal adiabatic structures. The feasibility of the common bulkhead tank in realizing thrust or rotation reorientation by evaporated exhaust gas has been systematically studied. The results indicate that the space radiation heat leak is the primary heat leak in spray-on foam insulation (SOFI) adiabatic tanks. However, the common bulkhead heat leak is dominant in the tank with multilayer insulation (MLI) or self-evaporation vapor cooled shield (VCS). For the continuous stable adiabatic exhaust, the tank with SOFI (over 114 W/m2) could realize reorientation with the acceleration of over 5.5 × 10−4 m/s2 generated by the exhaust. Meanwhile, the tank that adopted MLI or VCS (below 18 W/m2) struggled to achieve gas−liquid separation with the acceleration below 8.7 × 10−5 m/s2 generated by exhausting. The rotational angular velocity of the tank through exhausting increases... [more]
Features of Gravity Anomalies and Oil-Gas Distribution Rules in Central and Western Sichuan Basin, China
Xiaoyu Huang, Qing Chen, Hao Chen, Jie Zhu, Gege Li
April 28, 2023 (v1)
Subject: Other
Keywords: gravity anomaly, oil and gas distribution, Sichuan basin, tectonic unit
In order to explore the rules between gravity anomalies and oil-gas distribution characteristics in central and western Sichuan Basin, we divided the tectonic unit in central and western Sichuan basin on the base of the analysis of gravity anomaly characteristics, and studied the correlation between the oil−gas distribution and the local gravity anomaly in the study area. The results show that the variation in the range of the Bouguer gravity field in the interior of the basin is relatively small, and the southern part shows a clear gravity high zone, with gradual gravity gradient zones all around the basin periphery. The abnormal value of the residual gravity field in the basin is an obvious high−value gravity belt in the north and west, and the interior is arranged alternately with local high gravity and low gravity in the north−east direction. The tectonic units of the central and western Sichuan Basin can be divided into five regions, based on the characteristics of the Bouguer gra... [more]
The Process and Kinetics of Pesticide Desorption from Clay as a Function of Cleaning Polluted Waters
Esad Behrami, Vahid Avdiu
April 28, 2023 (v1)
Subject: Environment
Keywords: atrazine, benalaxyl, clay, desorption, dimethoate, methomyl
This study presents an investigation into the desorption process of pesticides, namely benalaxyl, atrazine, dimethoate, and methomyl, from aqueous solutions in natural Brari clay (Tirana) located at 41°21′14.49″ N and 19° 50′17.74″ E and Dardha clay (Korça) located at 40°31′16.59″ N and 20°49′33.69″ E. The desorption process was fast, where in the first 2 hours of contact, 99.1% of atrazine was desorbed from Brari clay, and 90.1% of atrazine was desorbed from Dardha clay. In addition, in the first 2 hours of contact, 80.3% of benalaxyl was desorbed from pear clay and 79.2% of benalaxyl from Brari clay; 96.2% of methomyl and 81.2% of dimethoate were desorbed. According to the acquired curves, the desorption process began with the dominance of methomyl from Brari clay, followed by dimethoate from Brari clay, dimethoate from Dardha clay, atrazine from Brari clay, benalaxyl from Brari clay, benalaxyl from Dardha clay, and lastly atrazine from Dardha clay. Hence, compared to Dardha clay, le... [more]
Intelligent Diagnosis Model of Working Conditions in Variable Torque Pumping Unit Wells Based on an Electric Power Diagram
Ruichao Zhang, Dechun Chen, Nu Lu, Bo Zhang, Yanjie Yang
April 28, 2023 (v1)
Keywords: dynamometer card, eigenvalue extraction, electric power diagram calculation, intelligent, working condition diagnosis
Because of the problems, such as the lack of an electric power diagram atlas under different working conditions and the difficulty in intelligent diagnosis of variable torqued pumping unit wells, this paper proposes a diagnosis model of working conditions based on feature recognition. The mathematical relationship model between the polished rod load and motor output power is derived based on the analysis of geometric structure, motion law, and process of energy transformation and transfer of the variable torque pumping unit. It can calculate the electric power diagram based on a dynamometer card. On this basis, the electric power diagram atlas is created, and the feature analysis and eigenvalue extraction of the electric power diagrams under different working conditions are carried out to realize the direct diagnosis of the working conditions in the variable torque pumping unit wells. The application and analysis of examples show that the electric power diagram atlas created in this pa... [more]
Gas Formation of Cobalt and Copper in the Application of Unconstrained Co-Cr-Al-Cu Metal Powders in Submerged Arc Welding: Gas Phase Thermodynamics and 3D Slag SEM Evidence
Theresa Coetsee, Frederik De Bruin
April 28, 2023 (v1)
Subject: Materials
Keywords: aluminium de-oxidiser, chromium, cobalt, copper, partial oxygen pressure, powder, pyrometallurgy, welding
Aluminium metal is not typically added to the submerged arc welding (SAW) process because it is easily oxidised to form unwanted slag in the weld pool. The successful application of aluminium as a de-oxidiser is illustrated in this study by preventing oxidation of Cr and Co to their oxides, thereby preventing element loss to the slag. Unconstrained pure metals of Al, Cr, Co and Cu were applied to investigate the gas formation behaviour of these elements in the SAW arc cavity. Of interest is the effect of copper in the arc cavity in terms of its possible substitution for aluminium. The results confirmed that the Al-Cr-Co-Cu alloyed weld metal total oxygen content was lowered to 176 ppm O, in comparison to 499 ppm O in the weld metal formed from welding with the original flux, which excluded metal powder additions. This lower ppm O value of 176 ppm O confirms that the added aluminium powder effectively lowered the original flux-induced partial oxygen pressure in the arc cavity, and at th... [more]
Some Logarithmic Intuitionistic Fuzzy Einstein Aggregation Operators under Confidence Level
Khaista Rahman, Ibrahim M. Hezam, Darko Božanić, Adis Puška, Miloš Milovančević
April 28, 2023 (v1)
Keywords: CLIFEHA operator, CLIFEHG operator, CLIFEOWA operator, CLIFEOWG operator, CLIFEWA operator, CLIFEWG operator, MAGDM problem
The objective of this paper is to introduce some new logarithm operational laws for intuitionistic fuzzy sets. Some structure properties have been developed and based on these, various aggregation operators, namely confidence logarithmic intuitionistic fuzzy Einstein weighted geometric (CLIFEWG) operator, confidence logarithmic intuitionistic fuzzy Einstein ordered weighted geometric (CLIFEOWG) operator, confidence logarithmic intuitionistic fuzzy Einstein hybrid geometric (CLIFEHG) operator, confidence logarithmic intuitionistic fuzzy Einstein weighted averaging (CLIFEWA) operator, confidence logarithmic intuitionistic fuzzy Einstein ordered weighted averaging (CLIFEOWA) operator, confidence logarithmic intuitionistic fuzzy Einstein hybrid averaging (CLIFEHA) operator have been presented. To show the validity and the superiority of the proposed operators, we compared these methods with the existing methods and concluded from the comparison and sensitivity analysis our proposed techniq... [more]
The Academic Development Trajectories and Applications of Flexible Manufacturing Systems Based on Main Path Analysis Method
Yun-Wen Chen, Wei-Hao Su, Kai-Ying Chen
April 28, 2023 (v1)
Keywords: flexible manufacturing cell, flexible manufacturing system, main path analysis, manufacturing systems, production automation and robotization
Rapid shifts in consumer preferences have prompted enterprises to offer products in small quantities and various options. To meet market demands, enterprises must be able to research the development of modern conceptions of manufacturing systems which has revolved around new practical and scientific results that are able to meet the assumptions of focused flexible manufacturing systems (FMSs) and the challenges of the Industry 4.0 philosophy. These FMSs, which incorporate automated facilities and computer control systems, play a crucial role in boosting the productivity of enterprises. In this study, the development trajectory and applications of FMS research were investigated. Scopus was used to collect and organize voluminous data, and main path analysis was used to identify the most relevant studies on FMS research. The results revealed that early FMS research concentrated on fundamental property analysis. After the flexibility and productivity of these systems were enhanced, the el... [more]
Reducing the Scrap Rate on a Production Process Using Lean Six Sigma Methodology
Ioana-Cătălina Enache, Oana Roxana Chivu, Ana-Maria Rugescu, Elena Ionita, Ionut Valentin Radu
April 28, 2023 (v1)
Keywords: DMAIC, Lean Six Sigma, organization, process improvement, scrap
The aim of this case study is to implement the Lean Six Sigma methodology to reduce the scrap rate of the edge-bending process of a metal door case used in the assembly process of refrigeration appliances. This study was initiated because the assembly process of refrigerators does not work at maximum capacity due to the scrap that occurs for this component. Losses have direct effects on a company’s profits and on its competitiveness on the market. This research provides an overview of the identification of the most optimal and useful tools that can be used in each context; this will help to establish a protocol which can be applied in similar contexts. Although this study is limited to one process, the results will have direct effects on the assembly line of the organization. The purpose of this study is to increase the capability of the process and to improve the efficiency of the delivery of the component parts to the assembly line. This case study provides further evidence of the ef... [more]
Computational Models That Use a Quantitative Structure−Activity Relationship Approach Based on Deep Learning
Yasunari Matsuzaka, Yoshihiro Uesawa
April 28, 2023 (v1)
Keywords: bioinformatics, computational models, convolution neural network, deep learning, graph convolutional networks, parameter optimization, quantitative structure–activity relationship
In the toxicological testing of new small-molecule compounds, it is desirable to establish in silico test methods to predict toxicity instead of relying on animal testing. Since quantitative structure−activity relationships (QSARs) can predict the biological activity from structural information for small-molecule compounds, QSAR applications for in silico toxicity prediction have been studied for a long time. However, in recent years, the remarkable predictive performance of deep learning has attracted attention for practical applications. In this review, we summarize the application of deep learning to QSAR for constructing prediction models, including a discussion of parameter optimization for deep learning.
A Peptide Potential Based on a Bond Dipole Representation of Electrostatics
Yan-Min Li, Xiao-Han Zheng, Chao-Ming Li, Qi Liu, Lei Wang, Qiang Hao, Chang-Sheng Wang
April 28, 2023 (v1)
Subject: Biosystems
Keywords: bond dipole, conformational energy, electrostatic interaction, peptide, polarization
A potential based on a bond dipole representation of electrostatics is reported for peptides. Different from those popular force fields using atom-centered point-charge or point-multipole to express the electrostatics, our peptide potential uses the chemical bond dipole−dipole interactions to express the electrostatic interactions. The parameters for permanent and induced bond dipoles are derived from fitting to the MP2 three-body interaction energy curves. The parameters for van der Waals are taken from AMBER99sb and further refined from fitting to the MP2 stacking interaction energy curve. The parameters for bonded terms are taken from AMBER99sb without any modification. The scale factors for intramolecular dipole−dipole interactions are determined from reproducing the highly qualified ab initio conformational energies of dipeptides and tetrapeptides. The resulting potential is validated by use to evaluate the conformational energies of polypeptides containing up to 15 amino acid res... [more]
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