Journal of Material Science & Engineering最新文献

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Effect of Siwak and Bamboo Fibers on Tensile Properties of Self-Cure Acrylic Resin Used for Denture Applications Siwak和竹纤维对义齿用自固化丙烯酸树脂拉伸性能的影响
Journal of Material Science & Engineering Pub Date : 2017-08-31 DOI: 10.4172/2169-0022.1000370
Jawad K. Oleiwi, S. Salih, H. S. Fadhil
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引用次数: 20
Investigation of the Flexoelectric Coupling Effect on the 180° Domain Wall Structure and Interaction with Defects 180°畴壁结构的挠性电耦合效应及其与缺陷的相互作用研究
Journal of Material Science & Engineering Pub Date : 1900-01-01 DOI: 10.4172/2169-0022.1000264
M. R, Borvayeh L
{"title":"Investigation of the Flexoelectric Coupling Effect on the 180° Domain Wall Structure and Interaction with Defects","authors":"M. R, Borvayeh L","doi":"10.4172/2169-0022.1000264","DOIUrl":"https://doi.org/10.4172/2169-0022.1000264","url":null,"abstract":"A new theory for 180° domain wall in ferroelectric perovskite material is presented in this work. The effect of flexoelectric coupling on the domain structure is analyzed. We show that the 180° domain wall has a mixed character of Ising and Bloch type wall and that the polarization perpendicular to the domain wall is not zero though it is very small compared to the spontaneous polarization in the case of tetragonal Barium Titanate. Finally, we present the effect of the new finding on the domain wall interaction with defects in the material.","PeriodicalId":412611,"journal":{"name":"Journal of Material Science & Engineering","volume":"87 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126194008","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}
引用次数: 1
Low Hanging Fruit in Computational Molecular Dynamics Simulations with the Published OPLS-AA Force Field OPLS-AA力场在计算分子动力学模拟中的应用
Journal of Material Science & Engineering Pub Date : 1900-01-01 DOI: 10.4172/2169-0022.1000312
Mongelli Gf
{"title":"Low Hanging Fruit in Computational Molecular Dynamics Simulations with the Published OPLS-AA Force Field","authors":"Mongelli Gf","doi":"10.4172/2169-0022.1000312","DOIUrl":"https://doi.org/10.4172/2169-0022.1000312","url":null,"abstract":"After performing computations in molecular dynamics in high performance research systems, many solvable but yet unsolved problems have been determined. These include (i) a list of molecules which are of commercial and scholarly interest that can be parameterized with the available OPLS-AA literature, (ii) a list of metals in certain environments which have yet to be parameterized and would provide insight into their behavior in commercial processes, (iii) an empirical approach to searching for the impact of molecular parameterizations on observable properties which is useful in searching for new materials, and (iv) understanding molecular reactivity in computational molecular dynamics.","PeriodicalId":412611,"journal":{"name":"Journal of Material Science & Engineering","volume":"725 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122004134","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}
引用次数: 0
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