densityfunctionaltheorycalculation相关论文
Density functional theory study on the role of ternary alloying elements in TiFe-based hydrogen stor
The role of additional ternary alloying elements on the performance of stationary TiFe-based hydrogen storage alloys was......
The mechanical properties of Cu-Al gradient structure from the tensile test have been investigated by molecular dynamics......
The electronic properties of two MgZnCa bulk metallic glasses (BMGs), Mg60Zn35Ca5 and Mg20Zn30Ca50, were investigated by......
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Identifying the composition and atomic distribution of Pt-Au bimetallic nanoparticle with machine le
Bimetallic nanoparticles (AmBn) usually exhibit rich catalytic chemistry and have drawn tremendous attention in heteroge......
