Rutile (TiO2) is heavily used in pigments mid colormlts, mid the most abundmlt source of rutile is ilmeinte. Upon oxidation of ilmeinte, mtile cml be formed wiffl modest energy consumption; furfflermore, after leach...Rutile (TiO2) is heavily used in pigments mid colormlts, mid the most abundmlt source of rutile is ilmeinte. Upon oxidation of ilmeinte, mtile cml be formed wiffl modest energy consumption; furfflermore, after leaching, only a few byproducts are formed. Unfortunate- ly, one drawback is file necessarily long oxidative process of typically used mefflods. In fflis study, we show fflat a fluidized bed reactor cml be used to oxidize ilmeinte ore to rapidly form ruffle mid pseudobrookite (Fe2TiOs) phases. Ilmeinte was oxidized wiffl 5vo1% 02 in Ar at temperatures of 1173 K or 1223 K mid subsequently leached using a diluted H2SO4 solution to dissolve file pseudobrookite phase. The effects of acid concentration, temperature, mid cooling rate after oxidation were investigated. We show fflat file ilmeinte was rapidly oxidized to form rutile mid pseudobrookite phases at 1173 mid 1223 K in a 5vo1% O2/95vo1% Ar environment wifflin 40 min. The fmal maximum mtile yield was 84.2mo1% after leaching in (1 + 1) H2SO4 solution at 393 K for 12 h.展开更多
Dear Editor,With great excitement, we read the article titled “Longterm hemodialysis improved and stabilized diabetic macular edema: two case reports” by Fan and Yuan[1];a case series study which provided interestin...Dear Editor,With great excitement, we read the article titled “Longterm hemodialysis improved and stabilized diabetic macular edema: two case reports” by Fan and Yuan[1];a case series study which provided interesting novel insights into the beneficial effect of hemodialysis(HD) on diabetic macular edema(DME).展开更多
In the present study,we show that time-consuming manual tuning of parameters in the Rietveld method,one of the most frequently used crystal structure analysis methods in materials science,can be automated by consideri...In the present study,we show that time-consuming manual tuning of parameters in the Rietveld method,one of the most frequently used crystal structure analysis methods in materials science,can be automated by considering the entire trial-and-error process as a blackbox optimisation problem.The automation is successfully achieved using Bayesian optimisation,which outperforms both a human expert and an expert-system type automation despite the absence of expertise.This approach stabilises the analysis quality by eliminating human-origin variance and bias,and can be applied to various analysis methods in other areas which also suffer from similar tiresome and unsystematic manual tuning of extrinsic parameters and human-origin variance and bias.展开更多
Materials informatics has significantly accelerated the discovery and analysis of materials in the past decade.One of the key contributors to accelerated materials discovery is the use of on-the-fly data analysis with...Materials informatics has significantly accelerated the discovery and analysis of materials in the past decade.One of the key contributors to accelerated materials discovery is the use of on-the-fly data analysis with high-throughput experiments,which has given rise to the need for accelerated and accurate automated estimation of the properties of materials.In this regard,spectroscopic data are widely used for materials discovery because these data include essential information about materials.An important requirement for the realisation of the automated estimation of materials parameters is the selection of a similarity measure,or kernel function.The required measure should be robust in terms of peak shifting,peak broadening,and noise.However,the determination of appropriate similarity measures for spectra and the automated estimation of materials parameters from these spectra currently remain unresolved.We examined major similarity measures to evaluate the similarity of both X-ray absorption and electron energy-loss spectra.The similarity measures show good correspondence with the materials parameter,that is,the crystal-field parameter,in all measures.The Pearson's correlation coefficient was the highest for the robustness against noise and peak broadening.We obtained the regression model for the crystal-field parameter 10 Dq from the similarity of the spectra.The regression model enabled the materials parameter,that is,10 Dq,to be automatically estimated from the spectra.With regard to research progress in similarity measures,this methodology would make it possible to extract the materials parameter from a large-scale dataset of experimental data.展开更多
基金Financial support was given by the Grants-in-Aid for Challenging Exploratory Research(No.26630374)in 2014–2015,Japan Society for Promotion of Science(JSPS)
文摘Rutile (TiO2) is heavily used in pigments mid colormlts, mid the most abundmlt source of rutile is ilmeinte. Upon oxidation of ilmeinte, mtile cml be formed wiffl modest energy consumption; furfflermore, after leaching, only a few byproducts are formed. Unfortunate- ly, one drawback is file necessarily long oxidative process of typically used mefflods. In fflis study, we show fflat a fluidized bed reactor cml be used to oxidize ilmeinte ore to rapidly form ruffle mid pseudobrookite (Fe2TiOs) phases. Ilmeinte was oxidized wiffl 5vo1% 02 in Ar at temperatures of 1173 K or 1223 K mid subsequently leached using a diluted H2SO4 solution to dissolve file pseudobrookite phase. The effects of acid concentration, temperature, mid cooling rate after oxidation were investigated. We show fflat file ilmeinte was rapidly oxidized to form rutile mid pseudobrookite phases at 1173 mid 1223 K in a 5vo1% O2/95vo1% Ar environment wifflin 40 min. The fmal maximum mtile yield was 84.2mo1% after leaching in (1 + 1) H2SO4 solution at 393 K for 12 h.
文摘Dear Editor,With great excitement, we read the article titled “Longterm hemodialysis improved and stabilized diabetic macular edema: two case reports” by Fan and Yuan[1];a case series study which provided interesting novel insights into the beneficial effect of hemodialysis(HD) on diabetic macular edema(DME).
基金This work is partly supported by JST-Mirai Program,Grant Number JPMJMI19G1K.O.and T.H.are partly supported by the Elements Strategy Initiative Center for Magnetic Materials(ESICMM),Grant Number 12016013,through the Ministry of Education,Culture,Sports,Science and Technology(MEXT)+1 种基金Y.S.is supported by the Japan Science and Technology Agency(JST),ACT-I,grant number JPMJPR18UEK.S.has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement No.701647.
文摘In the present study,we show that time-consuming manual tuning of parameters in the Rietveld method,one of the most frequently used crystal structure analysis methods in materials science,can be automated by considering the entire trial-and-error process as a blackbox optimisation problem.The automation is successfully achieved using Bayesian optimisation,which outperforms both a human expert and an expert-system type automation despite the absence of expertise.This approach stabilises the analysis quality by eliminating human-origin variance and bias,and can be applied to various analysis methods in other areas which also suffer from similar tiresome and unsystematic manual tuning of extrinsic parameters and human-origin variance and bias.
基金This work is partly supported by the Elements Strategy Initiative Centre for Magnetic Materials(ESICMM)under the outsourcing project of the Ministry of Education,Culture,Sports,Science,Technology(MEXT)This work is partly supported in part by‘Materials Research by Information Integration’Initiative(MI2I)project of the Support Program for Starting Up Innovation Hub from Japan Science and Technology Agency(JST)+1 种基金H.H.is partly supported by JST CREST grant number JPMJCR1761.Y.S.is supported by JST,ACT-I,grant Number JPMJPR18UEK.O.gratefully acknowledges the financial support by Toyota Motor Corporation.
文摘Materials informatics has significantly accelerated the discovery and analysis of materials in the past decade.One of the key contributors to accelerated materials discovery is the use of on-the-fly data analysis with high-throughput experiments,which has given rise to the need for accelerated and accurate automated estimation of the properties of materials.In this regard,spectroscopic data are widely used for materials discovery because these data include essential information about materials.An important requirement for the realisation of the automated estimation of materials parameters is the selection of a similarity measure,or kernel function.The required measure should be robust in terms of peak shifting,peak broadening,and noise.However,the determination of appropriate similarity measures for spectra and the automated estimation of materials parameters from these spectra currently remain unresolved.We examined major similarity measures to evaluate the similarity of both X-ray absorption and electron energy-loss spectra.The similarity measures show good correspondence with the materials parameter,that is,the crystal-field parameter,in all measures.The Pearson's correlation coefficient was the highest for the robustness against noise and peak broadening.We obtained the regression model for the crystal-field parameter 10 Dq from the similarity of the spectra.The regression model enabled the materials parameter,that is,10 Dq,to be automatically estimated from the spectra.With regard to research progress in similarity measures,this methodology would make it possible to extract the materials parameter from a large-scale dataset of experimental data.