nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio thermodynamics of fcc H-Zr and formation of hydrides
|
Besson, R. |
|
2016 |
114 |
C |
p. 254-263 10 p. |
artikel |
2 |
A multilevel approach to the evolutionary generation of polycrystalline structures
|
Barker, James |
|
2016 |
114 |
C |
p. 54-63 10 p. |
artikel |
3 |
An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2
|
Artrith, Nongnuch |
|
2016 |
114 |
C |
p. 135-150 16 p. |
artikel |
4 |
Atomistic simulation of nanoindentation on incipient plasticity and dislocation evolution in γ/γ′ phase with interface and void
|
Yang, Biao |
|
2016 |
114 |
C |
p. 172-177 6 p. |
artikel |
5 |
Computational modeling and characterization of X–Bi (X=B, Al, Ga, In) compounds: Prospective optoelectronic materials for infrared/near infra applications
|
Abdul Rahim, Nor Ashwani |
|
2016 |
114 |
C |
p. 40-46 7 p. |
artikel |
6 |
Defect microstructural equivalence in molybdenum under different irradiation conditions at low temperatures and low doses
|
Xu, Donghua |
|
2016 |
114 |
C |
p. 47-53 7 p. |
artikel |
7 |
Effect of bond population on the elasticity of tungsten nanowires: Ab initio calculation
|
Chibisova, M.A. |
|
2016 |
114 |
C |
p. 99-101 3 p. |
artikel |
8 |
Effects of nonlocal elasticity and slip condition on vibration and stability analysis of viscoelastic cantilever carbon nanotubes conveying fluid
|
Bahaadini, R. |
|
2016 |
114 |
C |
p. 151-159 9 p. |
artikel |
9 |
Effects of quenching rate on crack propagation in NiAl alloy using molecular dynamics
|
Sung, Po-Hsien |
|
2016 |
114 |
C |
p. 13-17 5 p. |
artikel |
10 |
Electronic structure of iron-doped misfit-layered calcium cobaltite
|
Srepusharawoot, Pornjuk |
|
2016 |
114 |
C |
p. 64-71 8 p. |
artikel |
11 |
Finite deformation of single-walled carbon nanocones under axial compression using a temperature-related multiscale quasi-continuum model
|
Wang, Xiangyang |
|
2016 |
114 |
C |
p. 244-253 10 p. |
artikel |
12 |
First principle calculations on the adsorption of molecular H2 in the largest pore of Co[Fe(CN)5NO] and Ni[Fe(CN)5NO] metal nitroprussides. Effect of the charged cavities on the adsorption and H2-host interactions
|
Morera-Boado, C. |
|
2016 |
114 |
C |
p. 102-111 10 p. |
artikel |
13 |
First principles study on optical response of graphene oxides: From reduced graphene oxide to the fully oxidized surface
|
Nasehnia, F. |
|
2016 |
114 |
C |
p. 112-120 9 p. |
artikel |
14 |
High-pressure phase diagram of gold from first-principles calculations: Converging to an isotropic atomic stacking order
|
Liu, Zhong-Li |
|
2016 |
114 |
C |
p. 72-78 7 p. |
artikel |
15 |
Hydrogen solubility in hcp titanium with the account of vacancy complexes and hydrides: A DFT study
|
Poletaev, D.O. |
|
2016 |
114 |
C |
p. 199-208 10 p. |
artikel |
16 |
IFC
|
|
|
2016 |
114 |
C |
p. IFC- 1 p. |
artikel |
17 |
Indices for self-healing performance assessments based on molecular dynamics simulation of asphalt binders
|
Sun, Daquan |
|
2016 |
114 |
C |
p. 86-93 8 p. |
artikel |
18 |
Intrinsic strength and failure behaviors of ultra-small single-walled carbon nanotubes
|
Tuan Hung, Nguyen |
|
2016 |
114 |
C |
p. 167-171 5 p. |
artikel |
19 |
Mechanical properties of single-walled carbon nanotube reinforced polymer composites with varied interphase’s modulus and thickness: A finite element analysis study
|
Banerjee, Dilip |
|
2016 |
114 |
C |
p. 209-218 10 p. |
artikel |
20 |
Mesoscopic study of micellar inversion pathways of the thermoresponsive PMEMA–PSBMA copolymer via applied stimulus intensity
|
Rodríguez-Hidalgo, María del Rosario |
|
2016 |
114 |
C |
p. 121-127 7 p. |
artikel |
21 |
Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach
|
Lu, Yu-Bin |
|
2016 |
114 |
C |
p. 189-198 10 p. |
artikel |
22 |
Molecular simulation of adsorption and separation of pure noble gases and noble gas mixtures on single wall carbon nanotubes
|
Sha, Haoyan |
|
2016 |
114 |
C |
p. 160-166 7 p. |
artikel |
23 |
Non-classic multi scale analysis of 2D-manipulation with AFM based on modified couple stress theory
|
Korayem, M.H. |
|
2016 |
114 |
C |
p. 33-39 7 p. |
artikel |
24 |
Phase-field modeling of microstructure evolution during solidification in presence of gas bubble
|
Du, Lifei |
|
2016 |
114 |
C |
p. 94-98 5 p. |
artikel |
25 |
Plasmonic and dielectric properties of ideal graphene
|
Warmbier, Robert |
|
2016 |
114 |
C |
p. 18-22 5 p. |
artikel |
26 |
Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide
|
Fonseca, Alexandre F. |
|
2016 |
114 |
C |
p. 236-243 8 p. |
artikel |
27 |
Solubility, permeation, and capturing of impurity oxygen in Au/Ag: A comparative investigation from first-principles
|
Zhou, Zhen-Yu |
|
2016 |
114 |
C |
p. 79-85 7 p. |
artikel |
28 |
Stress influence on substitutional impurity segregation on dislocation loops in IV–IV semiconductors
|
Portavoce, A. |
|
2016 |
114 |
C |
p. 23-32 10 p. |
artikel |
29 |
Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
|
Dziedzic, Jacek |
|
2016 |
114 |
C |
p. 219-232 14 p. |
artikel |
30 |
Surface roughness of the strained polycrystalline copper during the early stage oxidation
|
Zheng, Yao-Ting |
|
2016 |
114 |
C |
p. 183-188 6 p. |
artikel |
31 |
The “bimodal effect” of the bulk modulus of rare-earth titanate pyrochlore
|
Liu, C.G. |
|
2016 |
114 |
C |
p. 233-235 3 p. |
artikel |
32 |
Thermodynamic properties of LiD under compression with different pseudopotentials for lithium
|
Minakov, D.V. |
|
2016 |
114 |
C |
p. 128-134 7 p. |
artikel |
33 |
The transformation pathways for vitual long period stacking-ordered Mg: First-principles study
|
Li, Fuhui |
|
2016 |
114 |
C |
p. 1-12 12 p. |
artikel |
34 |
Weak increase of the dynamic tensile strength of aluminum melt at the insertion of refractory inclusions
|
Mayer, Alexander E. |
|
2016 |
114 |
C |
p. 178-182 5 p. |
artikel |