| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An embedded atom method interatomic potential for the zirconium-iron system
|
Saidi, P.
|
|
2017
|
133 |
C |
p. 6-13
8 p.
|
artikel
|
| 2 |
Bandgap nature of chalcopyrite ZnXP2 (X=Si, Ge, Sn)
|
Zhang, Yujun
|
|
2017
|
133 |
C |
p. 152-158
7 p.
|
artikel
|
| 3 |
Diffusion in oriented lamellar nanocomposite: Numerical analysis of the effects of dispersion and intercalation
|
Greco, A.
|
|
2017
|
133 |
C |
p. 45-51
7 p.
|
artikel
|
| 4 |
Dimeric anthracene-based mechanophore for damage precursor detection in epoxy-based thermoset polymer matrix: Characterization and atomistic modeling
|
Koo, Bonsung
|
|
2017
|
133 |
C |
p. 167-174
8 p.
|
artikel
|
| 5 |
Embedded atom method interatomic potentials fitted upon density functional theory calculations for the simulation of binary PtNi nanoparticles
|
Symianakis, Emmanouil
|
|
2017
|
133 |
C |
p. 185-193
9 p.
|
artikel
|
| 6 |
Evolution of internal strain in austenite phase during thermally induced martensitic phase transformation in NiTi shape memory alloys
|
Gur, Sourav
|
|
2017
|
133 |
C |
p. 52-59
8 p.
|
artikel
|
| 7 |
Experimental study and thermodynamic modeling of the Al-Sc-Zr system
|
Bo, H.
|
|
2017
|
133 |
C |
p. 82-92
11 p.
|
artikel
|
| 8 |
First-principle investigation on multiferroicity in cubic perovskite LaMn3Fe4O12 compound
|
Lin, Shenye
|
|
2017
|
133 |
C |
p. 116-121
6 p.
|
artikel
|
| 9 |
First-principles investigation on the geometries, stabilities and defective properties of fluoride surfaces
|
Han, Han
|
|
2017
|
133 |
C |
p. 159-166
8 p.
|
artikel
|
| 10 |
First principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure
|
Sun, Jie
|
|
2017
|
133 |
C |
p. 137-144
8 p.
|
artikel
|
| 11 |
First-principles study of fission gas incorporation and migration in zirconium nitride
|
Mei, Zhi-Gang
|
|
2017
|
133 |
C |
p. 175-184
10 p.
|
artikel
|
| 12 |
IFC
|
|
|
2017
|
133 |
C |
p. IFC-
1 p.
|
artikel
|
| 13 |
Local equilibrium configurations and minimum energy path of carbon nanotubes with Stone-Wales defects and their related pentagon-heptagon lattice defects
|
Lei, Xiao-Wen
|
|
2017
|
133 |
C |
p. 194-199
6 p.
|
artikel
|
| 14 |
Mechanical property assessment of black phosphorene nanotube using molecular dynamics simulation
|
Chen, Wen-Hwa
|
|
2017
|
133 |
C |
p. 35-44
10 p.
|
artikel
|
| 15 |
Molecular dynamics analysis of the effect of surface flaws of diamond tools on tool wear in nanometric cutting
|
Fung, K.Y.
|
|
2017
|
133 |
C |
p. 60-70
11 p.
|
artikel
|
| 16 |
On-the-fly parameterization of internal coordinate force constants for quasi-Newton geometry optimization in atomistic calculations
|
Freysoldt, Christoph
|
|
2017
|
133 |
C |
p. 71-81
11 p.
|
artikel
|
| 17 |
Phase-field modeling of void anisotropic growth behavior in irradiated zirconium
|
Han, G.M.
|
|
2017
|
133 |
C |
p. 22-34
13 p.
|
artikel
|
| 18 |
Radical based molecular transport system as good molecular spintronics device predicted by first-principles study
|
Zhang, J.
|
|
2017
|
133 |
C |
p. 93-98
6 p.
|
artikel
|
| 19 |
Sequestration of carbon dioxide in coal: Energetics and bonding from first-principles calculations
|
Liu, Yingdi
|
|
2017
|
133 |
C |
p. 145-151
7 p.
|
artikel
|
| 20 |
Structural stability and deformation resistant analysis of borophene and graphene-filled calcium silicate for cement-based materials
|
Yuan, Jianhui
|
|
2017
|
133 |
C |
p. 130-136
7 p.
|
artikel
|
| 21 |
The effect of yttrium on the generalized stacking fault energies in Mg
|
Pei, Zongrui
|
|
2017
|
133 |
C |
p. 1-5
5 p.
|
artikel
|
| 22 |
Theoretical explanation of CO2 sensing characteristics and adsorption properties on SmCoO3 (001) surface
|
Li, Feifei
|
|
2017
|
133 |
C |
p. 108-115
8 p.
|
artikel
|
| 23 |
The spectral adjustment in nanoscale transport combined with the density functional based tight binding method
|
Khalili, Khadijeh
|
|
2017
|
133 |
C |
p. 14-21
8 p.
|
artikel
|
| 24 |
Two-dimensional honeycomb (A7) and zigzag sheet (ZS) type nitrogen monolayers. A first principles study of structural, electronic, spectral, and mechanical properties
|
Bondarchuk, Sergey V.
|
|
2017
|
133 |
C |
p. 122-129
8 p.
|
artikel
|
| 25 |
Using graphene to simplify the adsorption of methane on shale in MD simulations
|
Lin, Kui
|
|
2017
|
133 |
C |
p. 99-107
9 p.
|
artikel
|
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