no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
1 |
Ab initio prediction of the Li5Ge2 Zintl compound
|
Tipton, William W. |
|
2014 |
93 |
C |
p. 133-136 4 p. |
article |
2 |
Adsorption and diffusion of lithium on 1T-MoS2 monolayer
|
Xu, B. |
|
2014 |
93 |
C |
p. 86-90 5 p. |
article |
3 |
A multiscale method for the analysis of defect behavior in Mo during electron irradiation
|
Rest, J. |
|
2014 |
93 |
C |
p. 169-177 9 p. |
article |
4 |
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium
|
Taylor, Richard H. |
|
2014 |
93 |
C |
p. 178-192 15 p. |
article |
5 |
Characterization and comparison of grain boundary character distributions in cemented carbides with different binder phases
|
Yuan, Xiaokun |
|
2014 |
93 |
C |
p. 144-150 7 p. |
article |
6 |
Corrigendum to “Comparison of spherical and cubical statistical volume elements with respect to convergence, anisotropy and localization behavior” [Comput. Mater. Sci. 63 (2012) 91–104]
|
Glüge, R. |
|
2014 |
93 |
C |
p. 255- 1 p. |
article |
7 |
Crystal structure and free energy of Ti2Ni3 precipitates in Ti–Ni alloys from first principles
|
Lang, P. |
|
2014 |
93 |
C |
p. 46-49 4 p. |
article |
8 |
Damage nucleation from repeated dislocation absorption at a grain boundary
|
Pan, Zhiliang |
|
2014 |
93 |
C |
p. 206-209 4 p. |
article |
9 |
Density functional study of X monodoped and codoped (X=C, N, S, F) anatase TiO2
|
Xi, Xinguo |
|
2014 |
93 |
C |
p. 1-5 5 p. |
article |
10 |
Diffusion behavior in Nickel–Aluminum and Aluminum–Uranium diluted alloys
|
Ramunni, Viviana P. |
|
2014 |
93 |
C |
p. 112-124 13 p. |
article |
11 |
Diffusion properties of liquid lithium–lead alloys from atomistic simulation
|
Wang, Bo |
|
2014 |
93 |
C |
p. 74-80 7 p. |
article |
12 |
Direct quantification of solute effects on grain boundary motion by atomistic simulations
|
Sun, Hao |
|
2014 |
93 |
C |
p. 137-143 7 p. |
article |
13 |
Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study
|
Deng, Lei |
|
2014 |
93 |
C |
p. 6-10 5 p. |
article |
14 |
Electronic band structure and volume-dependent lattice dynamical properties of superconductor Sr (AlGe)
|
Parlak, Cihan |
|
2014 |
93 |
C |
p. 201-205 5 p. |
article |
15 |
Electronic structure and X-ray magnetic circular dichroic of Neodymium doped ZnTe using the GGA+U approximation
|
Zaari, H. |
|
2014 |
93 |
C |
p. 91-96 6 p. |
article |
16 |
Evaluation of the band-gap of Ruddlesden–Popper tantalates
|
Ramirez-de-Arellano, J.M. |
|
2014 |
93 |
C |
p. 160-163 4 p. |
article |
17 |
First-principles calculations of elastic and thermodynamic properties of the four main intermetallic phases in Al–Zn–Mg–Cu alloys
|
Li, C.M. |
|
2014 |
93 |
C |
p. 210-220 11 p. |
article |
18 |
First-principles investigation of the electronic and lattice vibrational properties of Mg2C
|
Li, Tongwei |
|
2014 |
93 |
C |
p. 234-238 5 p. |
article |
19 |
IFC
|
|
|
2014 |
93 |
C |
p. IFC- 1 p. |
article |
20 |
Irradiation effects in single-walled carbon nanotubes: Density-functional theory based treatments
|
Zhang, Chao |
|
2014 |
93 |
C |
p. 15-21 7 p. |
article |
21 |
Kinetic Monte Carlo simulation of the effective diffusivity in grain boundary networks
|
Deng, Jie |
|
2014 |
93 |
C |
p. 36-45 10 p. |
article |
22 |
Magnetism and electronic structure in Zn and Ti doped CoO: A first-principles study
|
Yin, M.Y. |
|
2014 |
93 |
C |
p. 193-200 8 p. |
article |
23 |
Modelling, simulation and experimental validation of heat transfer in selective laser melting of the polymeric material PA12
|
Riedlbauer, D. |
|
2014 |
93 |
C |
p. 239-248 10 p. |
article |
24 |
Molecular dynamics study of carbon-nanotube shuttle-memory on graphene nanoribbon array
|
Kang, Jeong Won |
|
2014 |
93 |
C |
p. 164-168 5 p. |
article |
25 |
Molecular dynamics study of ultrathin lubricant films with functional end groups: Thermal-induced desorption and decomposition
|
Li, B. |
|
2014 |
93 |
C |
p. 11-14 4 p. |
article |
26 |
Multiscale approach for the nonlinear behavior of cementitious composite
|
Madke, Rohit Raju |
|
2014 |
93 |
C |
p. 29-35 7 p. |
article |
27 |
Numerical simulation of coarsening in binary solder alloys
|
Gräser, Carsten |
|
2014 |
93 |
C |
p. 221-233 13 p. |
article |
28 |
Origin of the morphological change from rafted structure to irregular shape of the γ′ phase in single crystal nickel-based superalloys
|
Tanimoto, T. |
|
2014 |
93 |
C |
p. 56-61 6 p. |
article |
29 |
Patterned arrangement regulated mechanical properties of hydrogenated graphene
|
Li, Yinfeng |
|
2014 |
93 |
C |
p. 68-73 6 p. |
article |
30 |
Pinning force from multiple second-phase particles in grain growth
|
Wang, Nan |
|
2014 |
93 |
C |
p. 81-85 5 p. |
article |
31 |
Positron energy levels in zinc chalcogenides ZnS, ZnSe, and ZnTe
|
Benosman, F. |
|
2014 |
93 |
C |
p. 22-28 7 p. |
article |
32 |
Prediction of residual stresses in multi-pass welded joint using Idealized Explicit FEM accelerated by a GPU
|
Ikushima, Kazuki |
|
2014 |
93 |
C |
p. 62-67 6 p. |
article |
33 |
Short range orders in molten Al: An ab initio molecular dynamics study
|
Ma, Jianbo |
|
2014 |
93 |
C |
p. 97-103 7 p. |
article |
34 |
Structural, electronical and thermal properties of XVO4 (X = Y, Gd) vanadate crystals
|
Rahnamaye Aliabad, H.A. |
|
2014 |
93 |
C |
p. 125-132 8 p. |
article |
35 |
Structural, mechanical, electronic and optical properties of layered ternary nitrides SrZrN2 and SrHfN2: First-principles calculations
|
Tian, Hao |
|
2014 |
93 |
C |
p. 249-254 6 p. |
article |
36 |
The effect of H adsorption on the electronic and magnetic states in the hybrid structure of graphene and BN
|
Zhao, Man |
|
2014 |
93 |
C |
p. 50-55 6 p. |
article |
37 |
The nature behind the preferentially embrittling effect of impurities on the ductility of tungsten
|
Pan, Zhiliang |
|
2014 |
93 |
C |
p. 104-111 8 p. |
article |
38 |
Theoretical investigation of band gap and optical properties of ZnO1− x Te x alloys (x =0, 0.25, 0.5, 0.75 and 1)
|
Noor, N.A. |
|
2014 |
93 |
C |
p. 151-159 9 p. |
article |