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An implementation of ICME in materials information exchanging interfaces ICME在物资信息交换接口中的实现
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/j.md.2018.09.001
Lianshan Lin, Weiju Ren
{"title":"An implementation of ICME in materials information exchanging interfaces","authors":"Lianshan Lin,&nbsp;Weiju Ren","doi":"10.1016/j.md.2018.09.001","DOIUrl":"https://doi.org/10.1016/j.md.2018.09.001","url":null,"abstract":"<div><p>The Integrated Computational Materials Engineering (ICME) approach provides a new paradigm for improving the performance of existing materials or discovering and developing new materials. It focuses on developing effective connections between isolated engineering fields, to bring quantitative processing-structure-property relationships and abundant validated data that populate the knowledge base for accelerating the research of new materials while reducing the cost of development. The data exchanging interfaces play a key role in building such ICME connections among different materials models, simulation tools and individual organizations. With implementations of information exchanging interface between different materials database, and interface between database and applications, this article concludes that in building effective ICME applications, 1) standards-compliant interface can improve the exchange efficiency; 2) popular web service enables automated online materials data transfer; 3) customized data interoperation scripts can provide flexibility and productivity.</p></div>","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"12 ","pages":"Pages 9-19"},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.md.2018.09.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72107376","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: 3
Mathematical analysis on the effect of tin on mechanical, electrical and thermal properties in magnesium-tin alloys 锡对镁锡合金力学、电学和热学性能影响的数学分析
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.11.004
T. Thankachan, K. Sooryaprakash, C. Saranya, V. Inigovalan
{"title":"Mathematical analysis on the effect of tin on mechanical, electrical and thermal properties in magnesium-tin alloys","authors":"T. Thankachan, K. Sooryaprakash, C. Saranya, V. Inigovalan","doi":"10.1016/J.MD.2018.11.004","DOIUrl":"https://doi.org/10.1016/J.MD.2018.11.004","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88561316","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: 2
Effect of various metal oxides phases present in CuMnOx catalyst for selective CO oxidation CuMnOx催化剂中不同金属氧化物相对CO选择性氧化的影响
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.11.002
S. Dey, G. C. Dhal, D. Mohan, R. Prasad
{"title":"Effect of various metal oxides phases present in CuMnOx catalyst for selective CO oxidation","authors":"S. Dey, G. C. Dhal, D. Mohan, R. Prasad","doi":"10.1016/J.MD.2018.11.002","DOIUrl":"https://doi.org/10.1016/J.MD.2018.11.002","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"6 1","pages":"63-71"},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85055461","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: 27
An implementation of ICME in materials information exchanging interfaces ICME在材料信息交换接口中的实现
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.09.001
Lianshan Lin, W. Ren
{"title":"An implementation of ICME in materials information exchanging interfaces","authors":"Lianshan Lin, W. Ren","doi":"10.1016/J.MD.2018.09.001","DOIUrl":"https://doi.org/10.1016/J.MD.2018.09.001","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74454116","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: 3
Effect of various metal oxides phases present in CuMnOx catalyst for selective CO oxidation CuMnOx催化剂中存在的各种金属氧化物相对CO选择性氧化的影响
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/j.md.2018.11.002
Subhashish Dey , Ganesh Chandra Dhal , Devendra Mohan , Ram Prasad
{"title":"Effect of various metal oxides phases present in CuMnOx catalyst for selective CO oxidation","authors":"Subhashish Dey ,&nbsp;Ganesh Chandra Dhal ,&nbsp;Devendra Mohan ,&nbsp;Ram Prasad","doi":"10.1016/j.md.2018.11.002","DOIUrl":"https://doi.org/10.1016/j.md.2018.11.002","url":null,"abstract":"<div><p><span>Hopcalite (CuMnOx) is a highly efficient catalyst for low temperature oxidation<span> of Carbon monoxide (CO). As synthesized by Co-precipitation method, it shows the high activity for CO oxidation. The coordination between CuO and MnOx in CuMnOx catalyst improves the catalytic activity for CO oxidation. In this research work, we investigate the individual catalytic activity of CuO and MnOx and compare with the multiphase CuMnOx catalyst. The performance of multiphase catalysts CuO and MnO</span></span><sub>2</sub> were numerous times higher as compared to single phase CuMnOx. The activity order of catalysts for CO oxidation was as follows: CuMnO<sub>x</sub>&gt; MnO<sub>x</sub> &gt; CuOx. The success of CuMnOx catalyst has prompted a great deal of research work into each component and nature of active sites. In CuMnOx catalyst, the MnOx acts as an oxygen donor and CuO acts as an oxygen acceptor. The presence of MnOx is possible to assist in the reduction of CuO, due to the coordination between CuO and MnO<sub>x</sub><span>. The calcination strategies of precursors highly affect the physicochemical and catalytic properties of the catalysts for CO oxidation. The reactive calcination (RC) conditions (4.5% CO in air) for prepared catalysts showed the best activity result for CO oxidation, as compared to the traditional method of calcination.</span></p></div>","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"12 ","pages":"Pages 63-71"},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.md.2018.11.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72107381","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: 27
Evolution of MG AZ31 twin activation with strain: A machine learning study MG - AZ31双胞激活随应变的演化:机器学习研究
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.09.002
Andrew D. Orme, D. Fullwood, M. Miles, C. Giraud-Carrier
{"title":"Evolution of MG AZ31 twin activation with strain: A machine learning study","authors":"Andrew D. Orme, D. Fullwood, M. Miles, C. Giraud-Carrier","doi":"10.1016/J.MD.2018.09.002","DOIUrl":"https://doi.org/10.1016/J.MD.2018.09.002","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"81 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77118279","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: 2
Experimental and theoretical tools for corrosion inhibition study of mild steel in aqueous hydrochloric acid solution by new indanones derivatives 新型吲哚酮衍生物对低碳钢在盐酸水溶液中的缓蚀研究的实验和理论工具
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.11.001
A. Saady, F. El-hajjaji, M. Taleb, K. Alaoui, A. Biache, A. Mahfoud, G. Alhouari, B. Hammouti, D. S. Chauhan, M. Quraishi
{"title":"Experimental and theoretical tools for corrosion inhibition study of mild steel in aqueous hydrochloric acid solution by new indanones derivatives","authors":"A. Saady, F. El-hajjaji, M. Taleb, K. Alaoui, A. Biache, A. Mahfoud, G. Alhouari, B. Hammouti, D. S. Chauhan, M. Quraishi","doi":"10.1016/J.MD.2018.11.001","DOIUrl":"https://doi.org/10.1016/J.MD.2018.11.001","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74086485","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: 38
Evolution of MG AZ31 twin activation with strain: A machine learning study MG AZ31孪晶激活随应变的演化：一项机器学习研究
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/j.md.2018.09.002
Andrew D. Orme , David T. Fullwood , Michael P. Miles , Christophe Giraud-Carrier
{"title":"Evolution of MG AZ31 twin activation with strain: A machine learning study","authors":"Andrew D. Orme ,&nbsp;David T. Fullwood ,&nbsp;Michael P. Miles ,&nbsp;Christophe Giraud-Carrier","doi":"10.1016/j.md.2018.09.002","DOIUrl":"https://doi.org/10.1016/j.md.2018.09.002","url":null,"abstract":"<div><p>Complex relationships between microstructure and twin formation in AZ31 magnesium are investigated as a function of increasing strain using supervised machine learning. In one approach, strain is incorporated as an implicit attribute in a single predictive model, in a second method, separate decision trees are formed for each strain level. A comparison of the methods shows that the second better uncovers the underlying physics. The correlations revealed are found to exhibit similarities with parameters used in conventional modeling techniques, leading to the conclusion that machine learning has potential to assist in future microstructural modeling.</p></div>","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"12 ","pages":"Pages 20-29"},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.md.2018.09.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72107375","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: 2
Microwave-assisted synthesis, characterization and photoluminescence interaction studies of undoped, Zr2+, Rh3+ and Pd2+ doped ZnS quantum dots 未掺杂、Zr2+、Rh3+和Pd2+掺杂ZnS量子点的微波辅助合成、表征和光致发光相互作用研究
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/j.md.2018.08.001
Dasari Ayodhya, Guttena Veerabhadram
{"title":"Microwave-assisted synthesis, characterization and photoluminescence interaction studies of undoped, Zr2+, Rh3+ and Pd2+ doped ZnS quantum dots","authors":"Dasari Ayodhya,&nbsp;Guttena Veerabhadram","doi":"10.1016/j.md.2018.08.001","DOIUrl":"https://doi.org/10.1016/j.md.2018.08.001","url":null,"abstract":"<div><p>Here, we report the simple and low-cost synthesis of undoped, Zr<sup>2+</sup>, Rh<sup>3+</sup> and Pd<sup>2+</sup><span><span><span><span> doped ZnS quantum dots (QDs) by a microwave-assisted method. We study the compositional, structural, and </span>optical properties by </span>XRD, SEM-EDX, </span>TEM<span><span>, FTIR, UV–vis and PL spectroscopy. The quantum confinement effect of the products was confirmed by means of spectroscopic measurements. XRD and TEM show that the synthesized ZnS quantum dots have cubic structures with a diameter of about less than 10 nm. The fluorescence interaction studies suggest that L-Cysteine was effectively quenched the fluorescence intensity of ZnS QDs and form stable Cys-ZnS complex using </span>fluorescence spectroscopy.</span></span></p></div>","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"12 ","pages":"Pages 1-8"},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.md.2018.08.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72107377","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: 8
Microwave-assisted synthesis, characterization and photoluminescence interaction studies of undoped, Zr2+, Rh3+ and Pd2+ doped ZnS quantum dots 未掺杂、Zr2+、Rh3+和Pd2+掺杂ZnS量子点的微波辅助合成、表征及光致发光相互作用研究
Materials Discovery Pub Date : 2018-06-01 DOI: 10.1016/J.MD.2018.08.001
D. Ayodhya, G. Veerabhadram
{"title":"Microwave-assisted synthesis, characterization and photoluminescence interaction studies of undoped, Zr2+, Rh3+ and Pd2+ doped ZnS quantum dots","authors":"D. Ayodhya, G. Veerabhadram","doi":"10.1016/J.MD.2018.08.001","DOIUrl":"https://doi.org/10.1016/J.MD.2018.08.001","url":null,"abstract":"","PeriodicalId":100888,"journal":{"name":"Materials Discovery","volume":"363 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82990443","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: 8
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