The mixing enthalpies and structural order in liquid Mg−Si system were investigated via ab-initio molecular dynamics at 1773 K.By calculating the transferred charges and electron density differences,the dominance of S...The mixing enthalpies and structural order in liquid Mg−Si system were investigated via ab-initio molecular dynamics at 1773 K.By calculating the transferred charges and electron density differences,the dominance of Si−Si interactions in the chemical environments around Si was demonstrated,which determined that the mixing enthalpy reached the minimum on Mg-rich side.In terms of Honeycutt and Anderson(HA)bond pairs based on the partial pair correlation functions,the attraction between Si−Si pairs and Mg atoms was revealed,and the evolution of structural order with Si content was characterized as a process of constituting frame structures by Si−Si pairs that dispersed Mg atoms.Focusing on tetrahedral order of local Si-configurations,a correlation between the mixing enthalpy and structural order was uncovered ultimately,which provided a new perspective combining the energetics with geometry to understand the liquid Mg−Si binary system.展开更多
Prostate cancer is a common malignant tumor in men,which seriously endangers men's health.At present,in the treatment of prostate cancer in different stages,the survival of patients shows differences,and the survi...Prostate cancer is a common malignant tumor in men,which seriously endangers men's health.At present,in the treatment of prostate cancer in different stages,the survival of patients shows differences,and the survival rate of early prostate cancer is high.The prognosis is good,the survival rate of advanced prostate cancer is low,and the prognosis is poor.Digital rectal examination combined with serum PSA detection is currently recognized as the best method for early prostate cancer screening.However,the specificity of PSA is poor,and a large number of prostate cancer patients are overdiagnosed and overtreated.At the same time,the treatment of advanced prostate cancer also needs more reliable biomarkers to judge the treatment effect and assist clinical decision-making.展开更多
基金The authors are grateful for the financial supports from the National Key Research and Development Program of China(2016YFB0701202)the National Natural Science Foundation of China(51901117,51801116,51804190,and 11804179)the Shandong Provincial Key Research and Development Plan,China(2019GGX102047).
文摘The mixing enthalpies and structural order in liquid Mg−Si system were investigated via ab-initio molecular dynamics at 1773 K.By calculating the transferred charges and electron density differences,the dominance of Si−Si interactions in the chemical environments around Si was demonstrated,which determined that the mixing enthalpy reached the minimum on Mg-rich side.In terms of Honeycutt and Anderson(HA)bond pairs based on the partial pair correlation functions,the attraction between Si−Si pairs and Mg atoms was revealed,and the evolution of structural order with Si content was characterized as a process of constituting frame structures by Si−Si pairs that dispersed Mg atoms.Focusing on tetrahedral order of local Si-configurations,a correlation between the mixing enthalpy and structural order was uncovered ultimately,which provided a new perspective combining the energetics with geometry to understand the liquid Mg−Si binary system.
基金Key research and development plan of Shanxi Province(No.201803D31110,201603D321068)Scientific research project of Shanxi Provincial Health and Family Planning Commission(No.2018045)。
文摘Prostate cancer is a common malignant tumor in men,which seriously endangers men's health.At present,in the treatment of prostate cancer in different stages,the survival of patients shows differences,and the survival rate of early prostate cancer is high.The prognosis is good,the survival rate of advanced prostate cancer is low,and the prognosis is poor.Digital rectal examination combined with serum PSA detection is currently recognized as the best method for early prostate cancer screening.However,the specificity of PSA is poor,and a large number of prostate cancer patients are overdiagnosed and overtreated.At the same time,the treatment of advanced prostate cancer also needs more reliable biomarkers to judge the treatment effect and assist clinical decision-making.
