65 citations · 101 across the 9 of their papers we have counts for
9 papers
Predicting grain boundary energies of complex alloys from ab initio calculations
Changle Li, Song Lu, Levente Vitos
Investigating the grain boundary energies of pure fcc metals and their surface energies obtained from ab initio modeling, we introduce a robust method to estimate the grain boundar…
Can experiment determine the stacking fault energy of metastable alloys?
Xun Suna, Song Lu, Ruiwen Xie +8
Stacking fault energy (SFE) plays an important role in deformation mechanisms and mechanical properties of face-centered cubic (fcc) metals and alloys. In metastable fcc alloys, th…
Designing transformation-induced plasticity and twinning-induced plasticity Cr-Co-Ni medium entropy alloys: theory and experiment
Zhibiao Yang, Song Lu, Yangzhong Tian +4
In order to efficiently explore the nearly infinite composition space in multicomponent solid solution alloys, it is important to establish predictive design strategies and use com…
Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron
Ruiwen Xie, Song Lu, Wei Li +2
Dislocation-solute interaction plays fundamental roles in mechanical properties of alloys. Here, we disclose the essential features of dislocation-carbon interaction in austenitic…
Theory of transformation-mediated twinning
Song Lu, Xun Sun, Xianghai An +4
High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislo…
Ab initio study of energetics and structures of heterophase interfaces: from coherent to semicoherent interfaces
Song Lu, John Ågren, Levente Vitos
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determinin…
Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches
Ruihuan Li, Song Lu, Dongyoo Kim +4
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE…
First-Principles prediction of the deformation modes in austenitic Fe-Cr-Ni alloys
Wei Li, Song Lu, Dongyoo Kim +3
First-principles alloy theory is used to establish the -surface of Fe-Cr-Ni alloys as function of chemical composition and temperature. The theoretical stacking fault energy (SF…
Effect of interstitial-driven lattice expansion on the stacking fault energy in austenitic steels
Song Lu, Wei Li, Se Kyun Kwon +4
Interstitials (carbon and nitrogen) are crucial alloying elements for optimizing the mechanical performance of the twinning-induced plasticity (TWIP) steels in terms of the stackin…