| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Analysis of impact phenomenon on superhydrophobic surfaces based on molecular dynamics simulation
|
Yan, Jihong
|
|
2017
|
134 |
C |
p. 8-16
9 p.
|
artikel
|
| 2 |
A theoretical method to predict novel organic electrode materials for Na-ion batteries
|
Zhang, Wanwan
|
|
2017
|
134 |
C |
p. 42-47
6 p.
|
artikel
|
| 3 |
Cohesive law describing crack growth at iron/precipitate interfaces
|
Elzas, Astrid
|
|
2017
|
134 |
C |
p. 214-224
11 p.
|
artikel
|
| 4 |
Effect of exchange-correlation functionals on the density functional theory simulation of phase transformation of fast-ion conductors: A case study in the Li garnet oxide Li7La3Zr2O12
|
Klenk, Matthew J.
|
|
2017
|
134 |
C |
p. 132-136
5 p.
|
artikel
|
| 5 |
Effect of the surface curvature and volume fraction of AuPs on the AuP-matrix interface
|
Wang, Yue
|
|
2017
|
134 |
C |
p. 58-66
9 p.
|
artikel
|
| 6 |
Enabling accurate first-principle calculations of electronic properties with a corrected k · p scheme
|
Berland, Kristian
|
|
2017
|
134 |
C |
p. 17-24
8 p.
|
artikel
|
| 7 |
Enhanced tribological properties of polymer composites by incorporation of nano-SiO2 particles: A molecular dynamics simulation study
|
He, Enqiu
|
|
2017
|
134 |
C |
p. 93-99
7 p.
|
artikel
|
| 8 |
Error estimation in high-throughput density functional theory calculation for material property: elastic constants of cubic binary alloy case
|
Wang, Juan
|
|
2017
|
134 |
C |
p. 190-200
11 p.
|
artikel
|
| 9 |
Force field for realistic molecular dynamics simulations of TiO2 growth
|
Houska, Jiri
|
|
2017
|
134 |
C |
p. 1-7
7 p.
|
artikel
|
| 10 |
Free energy of steps at faceted (111) solid-liquid interfaces in the Si-Al system calculated using capillary fluctuation method
|
Saidi, P.
|
|
2017
|
134 |
C |
p. 184-189
6 p.
|
artikel
|
| 11 |
Functional regression-based fluid permeability prediction in monodisperse sphere packings from isotropic two-point correlation functions
|
Röding, Magnus
|
|
2017
|
134 |
C |
p. 126-131
6 p.
|
artikel
|
| 12 |
Hybrid triazine-based graphitic carbon nitride and molybdenum disulfide bilayer with and without Li/Mg intercalation: Structural, electronic and optical properties
|
Chen, Xiaowei
|
|
2017
|
134 |
C |
p. 84-92
9 p.
|
artikel
|
| 13 |
IFC
|
|
|
2017
|
134 |
C |
p. IFC-
1 p.
|
artikel
|
| 14 |
Incipient FeO(111) monolayer formation during O-adsorption on Fe(110) surface
|
Chohan, Urslaan K.
|
|
2017
|
134 |
C |
p. 109-115
7 p.
|
artikel
|
| 15 |
Mechanical, elastic and thermodynamic properties of crystalline lithium silicides
|
Schwalbe, Sebastian
|
|
2017
|
134 |
C |
p. 48-57
10 p.
|
artikel
|
| 16 |
Mechanical properties of multilayer hexagonal silicon under uniaxial tension
|
He, Yezeng
|
|
2017
|
134 |
C |
p. 153-159
7 p.
|
artikel
|
| 17 |
Modeling pseudo-elasticity in NiTi: Why the MEAM potential outperforms the EAM-FS potential
|
Srinivasan, Prashanth
|
|
2017
|
134 |
C |
p. 145-152
8 p.
|
artikel
|
| 18 |
Nonlinear mechanical behaviour of γ-graphyne through an atomistic finite element model
|
Rodrigues, Filipe C.
|
|
2017
|
134 |
C |
p. 171-183
13 p.
|
artikel
|
| 19 |
Occupation deficiency in layered structures of UNi x Sb2 ( 0 ⩽ x ⩽ 1 ) studied by density functional theory supercell calculations
|
Werwiński, M.
|
|
2017
|
134 |
C |
p. 166-170
5 p.
|
artikel
|
| 20 |
Particle-grain boundary interactions: A phase field study
|
Ahmed, Karim
|
|
2017
|
134 |
C |
p. 25-37
13 p.
|
artikel
|
| 21 |
Phonon spectrum, IR and Raman modes, thermal expansion tensor and thermal physical properties of M2TiAlC2 (M=Cr, Mo, W)
|
Li, Y.F.
|
|
2017
|
134 |
C |
p. 67-83
17 p.
|
artikel
|
| 22 |
Response of the physical properties of δ-Y6WO12 and Y6UO12 to pressure
|
Liu, H.
|
|
2017
|
134 |
C |
p. 201-205
5 p.
|
artikel
|
| 23 |
Robust FCC solute diffusion predictions from ab-initio machine learning methods
|
Wu, Henry
|
|
2017
|
134 |
C |
p. 160-165
6 p.
|
artikel
|
| 24 |
Self-consistent charge and dipole density functional tight binding method and application to carbon-based systems
|
Wu, Ying
|
|
2017
|
134 |
C |
p. 206-213
8 p.
|
artikel
|
| 25 |
Simulation of convective flow and thermal conditions during ultrasonic treatment of an Al-2Cu alloy
|
Wang, Gui
|
|
2017
|
134 |
C |
p. 116-125
10 p.
|
artikel
|
| 26 |
Structure and surface energy of Au55 nanoparticles: An ab initio study
|
Holec, David
|
|
2017
|
134 |
C |
p. 137-144
8 p.
|
artikel
|
| 27 |
Study on electronic properties of α-, β- and γ-AlH3 – The theoretical approach
|
Savić, M.
|
|
2017
|
134 |
C |
p. 100-108
9 p.
|
artikel
|
| 28 |
The novel structure and superconductivity of zirconium hydride
|
Han, Ze-zhong
|
|
2017
|
134 |
C |
p. 38-41
4 p.
|
artikel
|
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