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Strain induced change of band structure and electron effective mass in wurtzite ZnO: A first-principles study
British Library Online Contents | 2015| -
Simulation on the deformation behaviors of nanotwinned Cu considering the angle effect between loading axis and twin boundary
British Library Online Contents | 2013| -
First-principles investigation of structural phase transitions and electronic properties of CuGaSe2 up to 100GPa
British Library Online Contents | 2013| -
Density functional study of X monodoped and codoped (X=C, N, S, F) anatase TiO2
British Library Online Contents | 2014| -
Effective permeability of composites containing flaky inclusions with various spatial distributions
British Library Online Contents | 2014| -
Phase field investigation of dendrite growth in the welding pool of aluminum alloy 2A14 under transient conditions
British Library Online Contents | 2014| -
First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n=−3→3) clusters on 5×5 supercells
British Library Online Contents | 2016| -
In-silico design of a new energetic material—1-Amino-5-nitrotetrazole with high energy and density
British Library Online Contents | 2016| -
DFT+U predictions: The effect of oxygen vacancy on the structural, electronic and photocatalytic properties of Mn-doped BiOCl
British Library Online Contents | 2013| -
Structure and energetics of Ni from ab initio molecular dynamics calculations
British Library Online Contents | 2014| -
Integrating computational modeling and first-principles calculations to predict stacking fault energy of dilute multicomponent Ni-base alloys
British Library Online Contents | 2014| -
Micromechanical finite element analyses of fire-retarded woven fabric composites at elevated temperatures using unit cells at multiple length scales
British Library Online Contents | 2012| -
Structural, elastic and thermodynamic properties of anti-ReO3 type Cu3N under pressure from first principles
British Library Online Contents | 2012| -
Theoretical insights into the adsorption of monatomic Ag on the (2×2) BiOCl (001) surfaces
British Library Online Contents | 2014| -
Electronic, magnetic and ferroelectric properties of multiferroic TlNiO3: A first principles study
British Library Online Contents | 2014| -
Electronic properties of energy harvesting Cu-chalcogenides: p–d hybridization and d-electron localization
British Library Online Contents | 2015| -
Coupled effects of grain size and orientation on properties of nanocrystalline materials
British Library Online Contents | 2012|
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