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20012026
most citedElectron-Ion Collider in China

422 citations

Showing cond-mat.mtrl-sciShow all

5 papers · 1 filter

cond-mat.mtrl-sci2017★ 25 cited

Phase-field modeling and electronic structural analysis of flexoelectric effect at 180° domain walls in ferroelectric PbTiO3

Yu-Jia Wang, Jiangyu Li, Yin-Lian Zhu +1

Flexoelectric effect is the coupling between strain, polarization and their gradients, which are prominent at the nanoscale. Although this effect is important to understand nanostr…

cond-mat.mtrl-sci2013★ 1 cited

Density functional study of X monodoped and codoped (X=C, N, S, F) anatase TiO2

Pengyu Dong, Huanhuan Pei, Qinfang Zhang +1

Using density-functional theory calculations within the generalized gradient corrected approximation, the models that nonmetallic impurities X substituted for O or Ti sites in anat…

cond-mat.mtrl-sci2009★ 17 cited

Premelting of Al nonperfect (111) surface

F. L. Tang, X. G. Cheng, W. J. Lu +1

Melting behaviors of aluminum (111) perfect/nonperfect surfaces, characterized by structure ordering parameter, have been investigated by classical molecular dynamics simulation wi…

cond-mat.mtrl-sci2009★ 14 cited

Surface structure and solidification morphology of aluminum nanoclusters

F. L. Tang, W. J. Lu, G. B. Chen +2

Classical molecular dynamics simulation with embedded atom method potential had been performed to investigate the surface structure and solidification morphology of aluminum nanocl…

cond-mat.mtrl-sci2009★ 15 cited

Structural relaxation and Jahn-Teller distortion of LaMnO3 (001) surface

F. L. Tang, M. Huang, W. J. Lu +1

We studied in detail the structural relaxation and Jahn-Teller distortion in LaMnO3 (001) surface of the orthorhombic phase by means of classical atomistic simulation. It is found…