Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240980
Yunze Zhuo
In the ever-evolving realm of chemistry, the challenges of experimental procedures, including high costs and time constraints, have necessitated the exploration of alternative methodologies. Computational Chemistry, underpinned by algorithms, physical theories, and artificial intelligence (AI), has emerged as a promising avenue, offering insights into molecular structures and interactions without the need for physical experiments. This review delves into the intricacies of Computational Chemistry, highlighting its advantages over traditional experimental methods, especially in the context of the EGFR genome and drug preparation. Furthermore, the principles of molecular dynamics simulations, rooted in Newtons second law, are elucidated, emphasizing the pivotal role of force fields in simulating molecular behaviors. The application spectrum of molecular dynamics, from drug discovery to material design, is explored, showcasing the transformative potential of integrating AI in these domains. The synergy between AI and molecular dynamics promises a future where molecular behaviors are understood with unprecedented depth and speed, paving the way for rapid innovations in drug discovery, material design, and beyond.
{"title":"Computational chemistry review article","authors":"Yunze Zhuo","doi":"10.54254/2755-2721/61/20240980","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240980","url":null,"abstract":"In the ever-evolving realm of chemistry, the challenges of experimental procedures, including high costs and time constraints, have necessitated the exploration of alternative methodologies. Computational Chemistry, underpinned by algorithms, physical theories, and artificial intelligence (AI), has emerged as a promising avenue, offering insights into molecular structures and interactions without the need for physical experiments. This review delves into the intricacies of Computational Chemistry, highlighting its advantages over traditional experimental methods, especially in the context of the EGFR genome and drug preparation. Furthermore, the principles of molecular dynamics simulations, rooted in Newtons second law, are elucidated, emphasizing the pivotal role of force fields in simulating molecular behaviors. The application spectrum of molecular dynamics, from drug discovery to material design, is explored, showcasing the transformative potential of integrating AI in these domains. The synergy between AI and molecular dynamics promises a future where molecular behaviors are understood with unprecedented depth and speed, paving the way for rapid innovations in drug discovery, material design, and beyond.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 65","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141000304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240973
Yung-ching Chan
Since the 18th-century Industrial Revolution, high-rise have played a crucial role in addressing urbanization challenges, remaining a primary solution for urban living. However, this architectural advancement has also contributed to environmental decline. Presently, steel and concrete stand out as the predominant materials for high-rise construction, with well-documented significant carbon emissions. This paper delves into the potential of timber as an environmentally friendly alternative in high-rise construction to address such environmental concerns. Furthermore, it examines the impact of these structures on land load. The paper conducts a comprehensive review of life cycle assessment (LCA) studies and offers a comparative analysis of the climate change impacts associated with timber versus conventional materials like reinforced concrete (RC), underscoring the urgent need for sustainable development in the vertical expansion of our cities. The findings demonstrate that both the mass and carbon emissions of high-rise timber structures, in comparison to RC structures, can be reduced by approximately half. The paper aims to underscore the benefits of timber in comparison to conventional reinforced concrete methods, thereby informing material selection in favor of sustainable urban development.
{"title":"Comparison of mass timber structure and RC structure with regard to sustainability by life cycle assessment","authors":"Yung-ching Chan","doi":"10.54254/2755-2721/61/20240973","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240973","url":null,"abstract":"Since the 18th-century Industrial Revolution, high-rise have played a crucial role in addressing urbanization challenges, remaining a primary solution for urban living. However, this architectural advancement has also contributed to environmental decline. Presently, steel and concrete stand out as the predominant materials for high-rise construction, with well-documented significant carbon emissions. This paper delves into the potential of timber as an environmentally friendly alternative in high-rise construction to address such environmental concerns. Furthermore, it examines the impact of these structures on land load. The paper conducts a comprehensive review of life cycle assessment (LCA) studies and offers a comparative analysis of the climate change impacts associated with timber versus conventional materials like reinforced concrete (RC), underscoring the urgent need for sustainable development in the vertical expansion of our cities. The findings demonstrate that both the mass and carbon emissions of high-rise timber structures, in comparison to RC structures, can be reduced by approximately half. The paper aims to underscore the benefits of timber in comparison to conventional reinforced concrete methods, thereby informing material selection in favor of sustainable urban development.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 43","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140998364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240941
Ruichen Yao
Thermoplastic Polyurethane Elastomer (TPU) materials have found extensive applications in the preparation of basketball shoe soles, owing to their excellent elasticity, lightweight properties, and durability. However, TPU materials still face challenges related to breathability, temperature sensitivity, and weather resistance, necessitating further research and improvement. This paper primarily investigates the advancements in E-TPU materials with high rebound foam particles tailored for basketball shoe sole applications. It emphasizes the factors influencing their performance and presents performance control methods from the perspectives of synthesis, molding, and usage. This research provides innovative approaches and methodologies for basketball shoe sole design.
{"title":"Preparation and performance characteristics study of thermoplastic polyurethane elastomer (TPU) for basketball shoe soles","authors":"Ruichen Yao","doi":"10.54254/2755-2721/61/20240941","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240941","url":null,"abstract":"Thermoplastic Polyurethane Elastomer (TPU) materials have found extensive applications in the preparation of basketball shoe soles, owing to their excellent elasticity, lightweight properties, and durability. However, TPU materials still face challenges related to breathability, temperature sensitivity, and weather resistance, necessitating further research and improvement. This paper primarily investigates the advancements in E-TPU materials with high rebound foam particles tailored for basketball shoe sole applications. It emphasizes the factors influencing their performance and presents performance control methods from the perspectives of synthesis, molding, and usage. This research provides innovative approaches and methodologies for basketball shoe sole design.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140998857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240985
Xinhui Ruan
{"title":"Investigations on properties, types and existing problems of thermal stabilizers of polyvinyl chloride","authors":"Xinhui Ruan","doi":"10.54254/2755-2721/61/20240985","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240985","url":null,"abstract":"<jats:p/>","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 48","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141000888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240986
Yishan Zheng
With the continuous improvement of peoples living standards, enhancing living conditions has gradually become a consensus for many. In addition to choosing new construction, the renovation of some old buildings has also gradually become a topic of discussion. In the process of building renovation, the selection of building materials has become a general concern. Green building materials are gradually entering the public eye, and green buildings have become a widely favored type of construction. The use of green building materials has become a trend. This paper, through introducing the concept, necessity, and characteristic advantages of green building materials, takes the example of the renovation design of an expert reception center to explore the feasibility of using green building materials in six aspects: building doors and windows, energy-saving glass, building walls, building insulation materials, decorative materials, and wood structure materials.
{"title":"A discussion on the application of green building materials in the renovation of buildings","authors":"Yishan Zheng","doi":"10.54254/2755-2721/61/20240986","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240986","url":null,"abstract":"With the continuous improvement of peoples living standards, enhancing living conditions has gradually become a consensus for many. In addition to choosing new construction, the renovation of some old buildings has also gradually become a topic of discussion. In the process of building renovation, the selection of building materials has become a general concern. Green building materials are gradually entering the public eye, and green buildings have become a widely favored type of construction. The use of green building materials has become a trend. This paper, through introducing the concept, necessity, and characteristic advantages of green building materials, takes the example of the renovation design of an expert reception center to explore the feasibility of using green building materials in six aspects: building doors and windows, energy-saving glass, building walls, building insulation materials, decorative materials, and wood structure materials.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140997758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240959
Qingyi Yan
Acidic corrosion plays a significant part in the compound business, particularly in the production of new substance fiber. As of now, the primary technique for creating acidic corrosive is the carbonylation of methanol utilizing iridium or rhodium organometallic edifices. The delegate techniques and the most recent advancement of methanol carbonylation to deliver acidic corrosion from two parts of homogeneous catalysis and heterogeneous catalysis are explored efficiently. The present homogeneous catalytic method and heterogeneous catalytic synthesis method using two different catalytic systems are introduced, followed in chronological order by the traditional method of producing acetic acid by carbonylation of methanol in the history of the chemical industry. The primary issues with producing acetic acid using conventional techniques are examined, including the product separation and the costly catalyst recovery. These issues can be resolved by developing and perfecting heterogeneous catalytic systems. The benefits and drawbacks of conventional techniques are broken down, the comprehensive summary and critical analysis of previous research provide comprehensive background knowledge, and the future exploration bearing is to work on the heterogeneous synergist framework to accomplish higher selectivity and preservation rate and work on financial proficiency.
{"title":"A review of process of methanol carbonylation to produce acetic acid","authors":"Qingyi Yan","doi":"10.54254/2755-2721/61/20240959","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240959","url":null,"abstract":"Acidic corrosion plays a significant part in the compound business, particularly in the production of new substance fiber. As of now, the primary technique for creating acidic corrosive is the carbonylation of methanol utilizing iridium or rhodium organometallic edifices. The delegate techniques and the most recent advancement of methanol carbonylation to deliver acidic corrosion from two parts of homogeneous catalysis and heterogeneous catalysis are explored efficiently. The present homogeneous catalytic method and heterogeneous catalytic synthesis method using two different catalytic systems are introduced, followed in chronological order by the traditional method of producing acetic acid by carbonylation of methanol in the history of the chemical industry. The primary issues with producing acetic acid using conventional techniques are examined, including the product separation and the costly catalyst recovery. These issues can be resolved by developing and perfecting heterogeneous catalytic systems. The benefits and drawbacks of conventional techniques are broken down, the comprehensive summary and critical analysis of previous research provide comprehensive background knowledge, and the future exploration bearing is to work on the heterogeneous synergist framework to accomplish higher selectivity and preservation rate and work on financial proficiency.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140998622","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240905
Haipeng Liu
As soon as nanomaterials were discovered, they attracted a lot of attention because of their unique and excellent properties and became major hot research. They are regarded as the most promising materials in the 21st century. With the growth of industrial production, photocatalytic technology has been pursued as an efficient, green, and economical way of industrial production and treatment of pollution. However, the low light energy utilization of traditional semiconductor materials is a drawback that cannot be ignored. Graphene, as one of the most common and widely used 2D nanomaterials, has a special structure and characteristics that can effectively solve this problem. The paper briefly introduces the structure, properties, preparation method, and basic principle of photocatalysis of graphene. At the same time, a review is provided on the application of graphene-based composite materials in the field of photocatalysis, including dye degradation, photocatalytic treatment of other emerging pollutants, photocatalytic treatment of air pollutants, and water decomposition. By summarizing and integrating the photocatalytic properties of several graphene-based composites, this article lays the foundation and helps to discover new graphene composites.
{"title":"The research progress on photocatalytic performance of graphene-based nanocomposites","authors":"Haipeng Liu","doi":"10.54254/2755-2721/61/20240905","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240905","url":null,"abstract":"As soon as nanomaterials were discovered, they attracted a lot of attention because of their unique and excellent properties and became major hot research. They are regarded as the most promising materials in the 21st century. With the growth of industrial production, photocatalytic technology has been pursued as an efficient, green, and economical way of industrial production and treatment of pollution. However, the low light energy utilization of traditional semiconductor materials is a drawback that cannot be ignored. Graphene, as one of the most common and widely used 2D nanomaterials, has a special structure and characteristics that can effectively solve this problem. The paper briefly introduces the structure, properties, preparation method, and basic principle of photocatalysis of graphene. At the same time, a review is provided on the application of graphene-based composite materials in the field of photocatalysis, including dye degradation, photocatalytic treatment of other emerging pollutants, photocatalytic treatment of air pollutants, and water decomposition. By summarizing and integrating the photocatalytic properties of several graphene-based composites, this article lays the foundation and helps to discover new graphene composites.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":"13 s3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141001301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-08DOI: 10.54254/2755-2721/61/20240958
Fangyi Lin
In modern society, metal products are needed in various industries. The annealing process is commonly employed in manufacturing. Based on the specifications of the product, the purpose of annealing is different, the annealing process specification has a variety of commonly used complete annealing, spheroidal annealing, and stress relief annealing. This paper investigates and compares the characteristics of different annealing processes in the production process through the literature research method. This paper describes seven annealing methods, mainly detailing two annealing processes, spheroidizing annealing, and recrystallization annealing, and gives examples of the advantages and disadvantages of these two processes. Annealing is primarily used to improve machinability and reduce hardness. It also stabilizes size, lowers residual stress, and lessens the tendency for deformation and cracking. Cut down on grain, reorganize, and get rid of organizational flaws, even material composition and organization can enhance a material's qualities or prepare it for upcoming heat treatments.
{"title":"A review of cooling in the industry","authors":"Fangyi Lin","doi":"10.54254/2755-2721/61/20240958","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240958","url":null,"abstract":"In modern society, metal products are needed in various industries. The annealing process is commonly employed in manufacturing. Based on the specifications of the product, the purpose of annealing is different, the annealing process specification has a variety of commonly used complete annealing, spheroidal annealing, and stress relief annealing. This paper investigates and compares the characteristics of different annealing processes in the production process through the literature research method. This paper describes seven annealing methods, mainly detailing two annealing processes, spheroidizing annealing, and recrystallization annealing, and gives examples of the advantages and disadvantages of these two processes. Annealing is primarily used to improve machinability and reduce hardness. It also stabilizes size, lowers residual stress, and lessens the tendency for deformation and cracking. Cut down on grain, reorganize, and get rid of organizational flaws, even material composition and organization can enhance a material's qualities or prepare it for upcoming heat treatments.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 24","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140999142","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
High reliability and long life are typical requirements for mechanical products. The performance requirements of mechanical products are increasing as science and technology develop, and the environment and working stress they bear are becoming more diverse. This issue has become one of the bottlenecks for mechanical products in lifespan and reliability generally. The aim of this study is to categorize, examine, and review the most applicable accelerated testing methods for mechanical products. The research status of accelerated modeling methods, statistical analysis, and design optimization of accelerated degradation testing(ADT) technology are reviewed. On the basis of literature analysis, the deficiencies and possible development directions of ADT were summarized and prospected. This work is anticipated to serve as a reference and provide important insights into the reliability of mechanical products.
{"title":"A literature review on the planning and analysis of accelerated degradation testing for mechanical products","authors":"Lijuan Yu, Xiangfei Hao, Kanghui Tong, Wenhui Hou, Hailong Tian, Jichen Han","doi":"10.54254/2755-2721/61/20240940","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240940","url":null,"abstract":"High reliability and long life are typical requirements for mechanical products. The performance requirements of mechanical products are increasing as science and technology develop, and the environment and working stress they bear are becoming more diverse. This issue has become one of the bottlenecks for mechanical products in lifespan and reliability generally. The aim of this study is to categorize, examine, and review the most applicable accelerated testing methods for mechanical products. The research status of accelerated modeling methods, statistical analysis, and design optimization of accelerated degradation testing(ADT) technology are reviewed. On the basis of literature analysis, the deficiencies and possible development directions of ADT were summarized and prospected. This work is anticipated to serve as a reference and provide important insights into the reliability of mechanical products.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":"14 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141001639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
With the continuous progress of society and science, building technology is also developing in the direction of intelligence, and the introduction of BIM technology has greatly promoted the development of intelligent buildings in China. The application of BIM technology in the field of intelligent construction is of great significance. It optimises project quality management, accelerates the building delivery process, and improves the operation and maintenance management efficiency of buildings. It is foreseeable that with the arrival of the intelligent era, BIM technology will continue to play an important role and bring more opportunities and challenges to the construction industry. Relevant practitioners should also actively learn and apply this technology to promote the development of the construction industry. This paper is based on a number of typical engineering cases, analyses a large number of existing literature, and reads various working reports and policies issued by the government. It introduces the role of BIM technology in project quality management, intelligent construction delivery and operation and maintenance management, with a view to providing reference for relevant practitioners.
{"title":"Research on the application of BIM technology in intelligent building technology","authors":"Yu Zhang, Tonghui Qu, Tianqi Yao, Yangting Gong, Xiaoyu Bian","doi":"10.54254/2755-2721/61/20240920","DOIUrl":"https://doi.org/10.54254/2755-2721/61/20240920","url":null,"abstract":"With the continuous progress of society and science, building technology is also developing in the direction of intelligence, and the introduction of BIM technology has greatly promoted the development of intelligent buildings in China. The application of BIM technology in the field of intelligent construction is of great significance. It optimises project quality management, accelerates the building delivery process, and improves the operation and maintenance management efficiency of buildings. It is foreseeable that with the arrival of the intelligent era, BIM technology will continue to play an important role and bring more opportunities and challenges to the construction industry. Relevant practitioners should also actively learn and apply this technology to promote the development of the construction industry. This paper is based on a number of typical engineering cases, analyses a large number of existing literature, and reads various working reports and policies issued by the government. It introduces the role of BIM technology in project quality management, intelligent construction delivery and operation and maintenance management, with a view to providing reference for relevant practitioners.","PeriodicalId":350976,"journal":{"name":"Applied and Computational Engineering","volume":" 23","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141000437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：