A data augmentation technique is employed in the current work on a training dataset of 610 bulk metallic glasses(BMGs),which are randomly selected from 762 collected data.An ensemble machine learning(ML)model is devel...A data augmentation technique is employed in the current work on a training dataset of 610 bulk metallic glasses(BMGs),which are randomly selected from 762 collected data.An ensemble machine learning(ML)model is developed on augmented training dataset and tested by the rest 152 data.The result shows that ML model has the ability to predict the maximal diameter Dmaxof BMGs more accurate than all reported ML models.In addition,the novel ML model gives the glass forming ability(GFA)rules:average atomic radius ranging from 140 pm to 165 pm,the value of TT/(T-T)(T-T)being higher than 2.5,the entropy of mixing being higher than 10 J/K/mol,and the enthalpy of mixing ranging from-32 k J/mol to-26 k J/mol.ML model is interpretative,thereby deepening the understanding of GFA.展开更多
基金the National Key R&D Program of China(No.2018YFB0704404)the Guangdong Basic and Applied Basic Research Foundation(No.2020A1515110798)+1 种基金the National Natural Science Foundation of China(Grant Nos.91860115)the Stable Supporting Fund of Shenzhen(GXWD20201230155427003-20200728114835006)。
文摘A data augmentation technique is employed in the current work on a training dataset of 610 bulk metallic glasses(BMGs),which are randomly selected from 762 collected data.An ensemble machine learning(ML)model is developed on augmented training dataset and tested by the rest 152 data.The result shows that ML model has the ability to predict the maximal diameter Dmaxof BMGs more accurate than all reported ML models.In addition,the novel ML model gives the glass forming ability(GFA)rules:average atomic radius ranging from 140 pm to 165 pm,the value of TT/(T-T)(T-T)being higher than 2.5,the entropy of mixing being higher than 10 J/K/mol,and the enthalpy of mixing ranging from-32 k J/mol to-26 k J/mol.ML model is interpretative,thereby deepening the understanding of GFA.
