Pub Date : 2024-01-05DOI: 10.1142/s2047684124500015
V. Nguyen
{"title":"Estimations of the elastic moduli of three-phase composites with two different ellipse inclusions randomly distributed in the matrix","authors":"V. Nguyen","doi":"10.1142/s2047684124500015","DOIUrl":"https://doi.org/10.1142/s2047684124500015","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"30 4","pages":""},"PeriodicalIF":1.3,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139449693","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 : 2023-11-16DOI: 10.1142/s2047684123500550
Saif Alzabeebee, Ali Adel, Zahraa Radi, S. Keawsawasvong
{"title":"Numerical analysis of the influence of granular trench reinforcement of soft clay subgrade on the undrained dynamic response of a railway track","authors":"Saif Alzabeebee, Ali Adel, Zahraa Radi, S. Keawsawasvong","doi":"10.1142/s2047684123500550","DOIUrl":"https://doi.org/10.1142/s2047684123500550","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"158 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2023-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139267589","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 : 2023-11-16DOI: 10.1142/s2047684123500549
Mehmet Serif Aldemir, S. Ediz
{"title":"On the chemical characteristics of fullerenes as modelled by R index","authors":"Mehmet Serif Aldemir, S. Ediz","doi":"10.1142/s2047684123500549","DOIUrl":"https://doi.org/10.1142/s2047684123500549","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"31 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2023-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139269510","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 : 2023-11-03DOI: 10.1142/s2047684123500525
Muhammad Sana Ullah Sahar, Syed Mansoor Ali, S. M. Junaid Zaidi, Syed M. Zafar Iqbal, Mubeen Shahid, M. Ijaz Khan
{"title":"Investigating the electronic, optical, elastic, and mechanical Properties of cubic CsPbI<sub>3</sub> under varying stress conditions: A computational analysis using density functional theory","authors":"Muhammad Sana Ullah Sahar, Syed Mansoor Ali, S. M. Junaid Zaidi, Syed M. Zafar Iqbal, Mubeen Shahid, M. Ijaz Khan","doi":"10.1142/s2047684123500525","DOIUrl":"https://doi.org/10.1142/s2047684123500525","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"6 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135868798","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 : 2023-11-03DOI: 10.1142/s2047684123500537
Yelda Kadioglu, Sare Ilknur Yavasoglu
{"title":"Interactions of insecticides with DNA-RNA bases and environmental conditions","authors":"Yelda Kadioglu, Sare Ilknur Yavasoglu","doi":"10.1142/s2047684123500537","DOIUrl":"https://doi.org/10.1142/s2047684123500537","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"89 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135868974","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 : 2023-10-27DOI: 10.1142/s2047684123500513
Abdelhamid Badaoui
{"title":"Theoretical Investigation of Optoelectronic Properties of Al-Doped Bas Using TB-MBJ Approach","authors":"Abdelhamid Badaoui","doi":"10.1142/s2047684123500513","DOIUrl":"https://doi.org/10.1142/s2047684123500513","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"54 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136312485","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 : 2023-10-21DOI: 10.1142/s2047684123500458
Vahid Khosravi, Syed Mohammad Mahmood, Lizrina Ludai Anak Jeffry, Swee Pin Yeap, Tarek Al Arbi Omar Ganat, Amir Rostami
In the context of fluid-surface studies of oil reservoirs, wettability alteration plays an important role, especially in carbonate reservoirs. This investigation, utilizing molecular dynamics simulation, delves into the effect of oil movement during interactions with brine ions. The calculation of adsorption energy, radial distribution function, diffusion coefficient, and configurational changes of the NaCl brine molecules allowed for an examination of the role of ions in oil movement from an oil-wet calcite surface. Findings indicate that the polarity of oil has a marked influence on oil detachment, as evidenced by the more than 30% adsorption energy for the acrylic acid system compared to the decane system. The diffusion coefficient of Na[Formula: see text] ions in the acrylic acid system was found to be five times as high as in the decane system. Configuration changes showed that brine ions are more active — in a regular eight shape — in interacting with the acrylic acid-wet surface as opposed to the decane-wet surface. The hierarchical significance of oil polarity [Formula: see text] brine ions [Formula: see text] mineral surface in altering the wettability of the system demonstrates the significance of sodium ions in the presence of the polar oil component. The findings greatly contribute to the development of effective Smart Water flooding technology.
{"title":"New Insights from Nanoscale In-depth Investigation into Wettability Modification in Oil-Wet Porous Media","authors":"Vahid Khosravi, Syed Mohammad Mahmood, Lizrina Ludai Anak Jeffry, Swee Pin Yeap, Tarek Al Arbi Omar Ganat, Amir Rostami","doi":"10.1142/s2047684123500458","DOIUrl":"https://doi.org/10.1142/s2047684123500458","url":null,"abstract":"In the context of fluid-surface studies of oil reservoirs, wettability alteration plays an important role, especially in carbonate reservoirs. This investigation, utilizing molecular dynamics simulation, delves into the effect of oil movement during interactions with brine ions. The calculation of adsorption energy, radial distribution function, diffusion coefficient, and configurational changes of the NaCl brine molecules allowed for an examination of the role of ions in oil movement from an oil-wet calcite surface. Findings indicate that the polarity of oil has a marked influence on oil detachment, as evidenced by the more than 30% adsorption energy for the acrylic acid system compared to the decane system. The diffusion coefficient of Na[Formula: see text] ions in the acrylic acid system was found to be five times as high as in the decane system. Configuration changes showed that brine ions are more active — in a regular eight shape — in interacting with the acrylic acid-wet surface as opposed to the decane-wet surface. The hierarchical significance of oil polarity [Formula: see text] brine ions [Formula: see text] mineral surface in altering the wettability of the system demonstrates the significance of sodium ions in the presence of the polar oil component. The findings greatly contribute to the development of effective Smart Water flooding technology.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"52 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135463436","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 : 2023-10-20DOI: 10.1142/s2047684123500483
Mary X. Anitha, Bhisham Sharma, I Johnson, C. Karthik, Subrata Chowdhury
{"title":"Performance analysis of groundwater quality index models for predicting water district in tamil nadu using regression techniques","authors":"Mary X. Anitha, Bhisham Sharma, I Johnson, C. Karthik, Subrata Chowdhury","doi":"10.1142/s2047684123500483","DOIUrl":"https://doi.org/10.1142/s2047684123500483","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"69 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135565465","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 : 2023-10-20DOI: 10.1142/s2047684123500501
Hashmat Ali, Farhat Bibi, Ehtsham Azhar, Muhammad Jamal
{"title":"Analyzing Hall Current Effects and Fractional Order Nonlocal Theory on Plane Wave Reflection in a Rotating Isotropic Medium","authors":"Hashmat Ali, Farhat Bibi, Ehtsham Azhar, Muhammad Jamal","doi":"10.1142/s2047684123500501","DOIUrl":"https://doi.org/10.1142/s2047684123500501","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"76 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135565469","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 : 2023-10-20DOI: 10.1142/s2047684123500495
Md Niloy Khan, Naim Ferdous, Md Abdullah Al Asad, Shahbaz Kamal Chowdhury, Fazle Rabbi
{"title":"A Comprehensive Study on Electronic Properties of Monolayer MoS<sub>2</sub> with Spin-Orbit Coupling","authors":"Md Niloy Khan, Naim Ferdous, Md Abdullah Al Asad, Shahbaz Kamal Chowdhury, Fazle Rabbi","doi":"10.1142/s2047684123500495","DOIUrl":"https://doi.org/10.1142/s2047684123500495","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":"393 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135567125","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}
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