29 citations · 44 across the 5 of their papers we have counts for
5 papers
Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution
Qing-Miao Hu, Rui Yang
The substitutional solute atom induced local lattice distortion (LLD) in dilute metal solid solution was believed to be uniform that may even be modeled by using soap bubble raft.…
Origin of the abnormal diffusion of transition metal in rutile
Linggang Zhu, Graeme J. Ackland, Qing-Miao Hu +2
Diffusion of dopants in rutile is the fundamental process that determines the performance of many devices in which rutile is used. The diffusion behavior is known to be highly samp…
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…
Ab initio prediction of the mechanical properties of alloys: The case of Ni/Mn-doped ferromagnetic Fe
Guisheng Wang, Stephan Schönecker, Staffan Hertzman +4
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical prop…
Towards an exact treatment of exchange and correlation in materials: Application to the "CO adsorption puzzle" and other systems
Qing-Miao Hu, Karsten Reuter, Matthias Scheffler
It is shown that the errors of present-day exchange-correlation (xc) functionals are rather short ranged. For extended systems the correction can therefore be evaluated by analyzin…