检索结果-南通市图书馆

Predictive modeling of critical temperatures in magnesium compounds using transfer learning

Journal of Magnesium and Alloys 2024年第4期12卷 1540-1553页

作者： Surjeet Kumar Russlan Jaafreh Subhajit Dutta Jung Hyeon Yoo Santiago Pereznieto kotiba hamad Dae Ho Yoon School of Advanced Materials Science&Engineering Sungkyunkwan University Suwon 16419Republic of Korea

This study presents a transfer learning approach for discovering potential Mg-based superconductors utilizing a comprehensive target ***,a large source dataset(Bandgap dataset)comprising approximately∼75k compounds is utilized for pretraining,followed by fine-tuning with a smaller Critical Temperature(T_(c))dataset containing∼300 ***,there is a significant improvement in the performance of the transfer learning model over the traditional deep learning(DL)model in predicting ***,the transfer learning model is applied to predict the properties of approximately 150k *** are validated computationally using density functional theory(DFT)calculations based on lattice dynamics-related ***,to demonstrate the extended predictive capability of the transfer learning model for new materials,a pool of virtual compounds derived from prototype crystal structures from the Materials Project(MP)database is generated.T_(c) predictions are obtained for∼3600 virtual compounds,which underwent screening for electroneutrality and thermodynamic *** Extra Trees-based model is trained to utilize E_(hull)values to obtain thermodynamically stable materials,employing a dataset containing Ehull values for approximately 150k materials for *** with Ehull values exceeding 5 meV/atom were filtered out,resulting in a refined list of potential Mg-based *** study showcases the effectiveness of transfer learning in predicting superconducting properties and highlights its potential for accelerating the discovery of Mg-based materials in the field of superconductivity.

关键词： Superconductivity Critical temperature Transfer learning Crystal structure features Thermodynamic stability

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Brittle and ductile characteristics of intermetallic compounds in magnesium alloys: A large-scale screening guided by machine learning

引用

Journal of Magnesium and Alloys 2023年第1期11卷 392-404页

作者： Russlan Jaafreh Yoo Seong Kang kotiba hamad School of Advanced Materials Science&Engineering Sungkyunkwan UniversitySuwon 16419South Korea School of Applied Data Science Sungkyunkwan UniversitySuwon 16419South Korea

In the present work,we have employed machine learning(ML)techniques to evaluate ductile-brittle(DB)behaviors in intermetallic compounds(IMCs)which can form magnesium(Mg)*** procedure was mainly conducted by a proxy-based method,where the ratio of shear(G)/bulk(B)moduli was used as a proxy to identify whether the compound is ductile or *** from compounds information(composition and crystal structure)and their moduli,as found in open databases(AFLOW),ML-based models were built,and those models were used to predict the moduli in other compounds,and accordingly,to foresee the ductile-brittle behaviors of these new *** results reached in the present work showed that the built models can effectively catch the elastic moduli of new *** was confirmed through moduli calculations done by density functional theory(DFT)on some compounds,where the DFT calculations were consistent with the ML prediction.A further confirmation on the reliability of the built ML models was considered through relating between the DB behavior in MgBe_(13) and MgPd_(2),as evaluated by the ML-predicted moduli,and the nature of chemical bonding in these two compounds,which in turn,was investigated by the charge density distribution(CDD)and electron localization function(ELF)obtained by DFT *** ML-evaluated DB behaviors of the two compounds was also consistent with the DFT calculations of CDD and *** findings and confirmations gave legitimacy to the built model to be employed in further prediction ***,as examples,the DB characteristics were investigated in IMCs that might from in three Mg alloy series,involving AZ,ZX and WE.

关键词： Mg alloys Intermetallic compounds Ductile-brittle Machine learning Algorithm Features DFT

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Crystal structure guided machine learning for the discovery and design of intrinsically hard materials

引用

Journal of Materiomics 2022年第3期8卷 678-684页

作者： Russlan Jaafreh Tamer Abuhmed Jung-Gu Kim kotiba hamad School of Advanced Materials Science&Engineering Sungkyunkwan UniversitySuwon16419South Korea College of Computing and Informatics Sungkyunkwan UniversitySuwon16419South Korea

In this work,a machine learning(ML)model was created to predict intrinsic hardness of various compounds using their crystal *** this purpose,an initial dataset,containing the hardness values of 270 compounds and counterpart applied loads,was employed in the learning *** on various features generated using crystal information,an ML model,with a high accuracy(R^(2)=0.942),was built using extreme gradient boosting(XGB)*** validations conducted by hardness measurements of various compounds,including MSi_(2)(M=Nb,Ce,V,and Ta),Al_(2)O_(3),and FeB_(4),showed that the XGB model was able to reproduce load-dependent hardness behaviors of these *** addition,this model was also used to predict the behavior based on prototype crystal structures that are randomly substituted with elements.

关键词： Machine learning XGB algorithm Intrinsic hardness Crystal chemistry OQMD ICSD MP

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Effect of Deformation Temperature on Microstructure and Mechanical Properties of AZ31 Mg Alloy Processed by Differential-Speed Rolling

引用

Journal of Materials Science & Technology 2015年第5期31卷 498-503页

作者： Mosab Kaseem Bong Kwon Chung Hae Woong Yang kotiba hamad Young Gun Ko School of Materials Science and Engineering Yeungnam University

A differential-speed rolling(DSR) was applied to AZ31 magnesium alloy sample at different rolling temperatures of 473,523,573,and 623 K with 1-pass and 2-pass *** microstructural evolution and mechanical properties of the deformed samples were *** rolling temperature was found to be an important parameter affecting the microstructural *** DSR at 473 K,the microstructure was more homogeneous than that obtained after deformation by equal-speed rolling(ESR).The fully recrystallized microstructures were generated after DSR at 573 and 623 *** to mechanical properties,the yield strength(YS) and ultimate tensile strength(UTS) decreased monotonously with increasing rolling *** contrast,the elongation of the DSR-deformed samples was improved as the rolling temperature *** strain hardening exponent(n) calculated by Hollomon equation increased with increasing the rolling temperature,which would explain an increase in the uniform elongation.

关键词： Differential-speed rolling Magnesium alloy Mechani

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Melt Rheology of Poly(Lactic Acid)/Low Density Polyethylene Polymer Blends

引用

Advances in Chemical Engineering and Science 2011年第4期1卷 208-214页

作者： kotiba hamad Mosab Kaseem Fawaz Deri 不详

In this work, rheological properties of poly (lactic acid) (PLA), low density polyethylene (LDPE) polymer blends were investigated in the molten state. The experiments were carried on a capillary rheometer. The effect of shear stress, temperature and blending ratio on the flow activation energy at a constant shear stress and melt viscosity of the blends are described. The results showed that the PLA/LDPE polymer blends are pseudo plastic in nature, where there viscosity decreases with increasing shear stress. Also it was found the melt viscosity of the blends decreases with increasing PLA content in the blend.

关键词： PLA LDPE Polymer Blends Melt Viscosity Flow Activation Energy

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Preparation and Characterization of Binary and Ternary Blends with Poly(Lactic Acid), Polystyrene, and Acrylonitrile-Butadiene-Styrene

引用

Journal of Biomaterials and Nanobiotechnology 2012年第3期3卷 405-412页

作者： kotiba hamad Mosab Kaseem Fawaz Deri University of Damascus Faculty of Science Department of Chemistry Laboratory of Materials Rheology (LMR) University of Damascus Faculty of Science Department of Chemistry Laboratory of Materials Rheology (LMR).

Binary and ternary blends of poly(lactic acid) (PLA), polystyrene (PS) and acrylonitrile-butadiene-styrene (ABS) were prepared using a one-step extrusion process. Rheological and mechanical properties of the prepared blends were determined. Rheological properties were studied using a capillary rheometer, shear rate, shear stress, non-Newtonian index, shear viscosity and flow activation energy were determined. Mechanical properties were studied in term of tensile properties, stress at break, strain at break, and Young’s modulus were determined. The effect of the composition on the rheological and mechanical properties was investigated. The results show that the ternary blend exhibits shear-thinning behavior over the range of the studied shear rates where the true shear viscosity of the blend decreases with increasing true shear rate, also it was found that the true viscosity of the blend decreases with increasing ABS content. The mechanical results showed that, in the most cases, the stress at break and the Young’s modulus improved by the addition of ABS.

关键词： PLA Ternary Blends Rheology Mechanical Properties

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

聚乳酸/低密度聚乙烯共混聚合物的制备及表征

引用

中国印刷与包装研究 2013年第5期5卷 72-76页

作者： kotiba hamad MOSAB Kaseem FAWAZ Deri 范卿萌 Department of Chemistry Faculty of ScienceLaboratory of Materials Rheology(LMR)University of DamascusDamascusSyria

聚乳酸（PLA）是一种来源于玉米及甜菜根的脂肪类聚合物，可被降解为无毒的化合物。目前，常用的PLA合成方法为直接由乳酸或丙交酯开环聚合制得PLA。首先用乳酸合成低分子量的PLA，随后使其解聚成丙交酯（不稳定的二聚物），最后经催化... 详细信息

聚乳酸（PLA）是一种来源于玉米及甜菜根的脂肪类聚合物，可被降解为无毒的化合物。目前，常用的PLA合成方法为直接由乳酸或丙交酯开环聚合制得PLA。首先用乳酸合成低分子量的PLA，随后使其解聚成丙交酯（不稳定的二聚物），最后经催化剂开环聚合成可控的高分子聚合物，其制备过程免溶剂处理。该方法能够以低成本生产高分子量的PLA，故在市场上得到了广泛的应用。

关键词：高分子聚合物聚乳酸低密度聚乙烯制备表征共混合成方法低分子量

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：