首页|Theoretical study of kinetic isotope effects for vacancy diffusion of impurity in solids
Theoretical study of kinetic isotope effects for vacancy diffusion of impurity in solids
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
万方数据
维普
Theoretical study of kinetic isotope effects for vacancy diffusion of impurity in solids
Theoretical studies of the diffusional isotope effect in solids are still stuck in the 1960s and 1970s.With the development of high spatial resolution mass spectrom-eters,isotopic data of mineral grains are rapidly accumu-lated.To dig up information from these data,molecular-level theoretical models are urgently needed.Based on the microscopic definition of the diffusion coefficient(D),a new theoretical framework for calculating the diffusional isotope effect(DIE(v))(in terms of D*/D)for vacancy-mediated impurity diffusion in solids is provided based on statistical mechanics formalism.The newly derived equation shows that the DIE(v)can be easily calculated as long as the vibra-tion frequencies of isotope-substituted solids are obtained.The calculated DIE(v)values of 199Au/195Au and 60Co/57Co during diffusion in Cu and Au metals are all within 1％of errors compared to the experimental data,which shows that this theoretical model is reasonable and precise.
Yuxi Jing,Xuefang Li,Yun Liu.Theoretical study of kinetic isotope effects for vacancy diffusion of impurity in solids[J].地球化学学报(英文版),2024,43(5):959-970.DOI:10.1007/s11631-024-00706-1.
万方数据
