| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Abaqus implementation of monolithic and staggered schemes for quasi-static and dynamic fracture phase-field model
|
Liu, Guowei
|
|
2016
|
121 |
C |
p. 35-47
13 p.
|
artikel
|
| 2 |
Accelerated molecular dynamics simulations for characterizing plastic deformation in crystalline materials with cracks
|
Chakraborty, Subhendu
|
|
2016
|
121 |
C |
p. 23-34
12 p.
|
artikel
|
| 3 |
Adsorption and migration behaviours of Nb–C atoms on clean diamond (001) surface: A first principles study
|
Liu, Xuejie
|
|
2016
|
121 |
C |
p. 159-166
8 p.
|
artikel
|
| 4 |
Ag diffusion in SiC high-energy grain boundaries: Kinetic Monte Carlo study with first-principle calculations
|
Ko, Hyunseok
|
|
2016
|
121 |
C |
p. 248-257
10 p.
|
artikel
|
| 5 |
A micro–macro homogenization scheme for elastic composites containing high volume fraction multi-shape inclusions
|
Parsaee, A.
|
|
2016
|
121 |
C |
p. 217-224
8 p.
|
artikel
|
| 6 |
A novel approach to the electronic structure and surface composition investigations of tin-oxygen system materials by means of X-ray absorption spectroscopy combined with ab initio calculations
|
Manyakin, M.D.
|
|
2016
|
121 |
C |
p. 119-123
5 p.
|
artikel
|
| 7 |
Charge-transfer modified embedded-atom method for manganese oxides: Nanostructuring effects on MnO2 nanorods
|
Kong, Fantai
|
|
2016
|
121 |
C |
p. 191-203
13 p.
|
artikel
|
| 8 |
C15 NbCr2 Laves phase with mechanical properties beyond Pugh’s criterion
|
Long, Qianxin
|
|
2016
|
121 |
C |
p. 167-173
7 p.
|
artikel
|
| 9 |
Density functional theory calculations of the nitrogen-rich energetic compound 3,4-diamino-1,2,4-triazolium 1-aminotetrazol-5-oneate
|
Wang, Wen-Peng
|
|
2016
|
121 |
C |
p. 225-231
7 p.
|
artikel
|
| 10 |
Development of n-body expansion interatomic potentials and its application for V
|
Lipnitskii, A.G.
|
|
2016
|
121 |
C |
p. 67-78
12 p.
|
artikel
|
| 11 |
Effects of epitaxial strains on spontaneous polarizations and band gaps of alkaline-earth-metal oxides MO (M=Mg, Ca, Sr, Ba)
|
Yang, Xiong
|
|
2016
|
121 |
C |
p. 61-66
6 p.
|
artikel
|
| 12 |
Effects of hydrogen adsorption on the fracture properties of graphene
|
Tabarraei, Alireza
|
|
2016
|
121 |
C |
p. 151-158
8 p.
|
artikel
|
| 13 |
Electronic band alignment at CuGaS2 chalcopyrite interfaces
|
Castellanos Águila, J.E.
|
|
2016
|
121 |
C |
p. 79-85
7 p.
|
artikel
|
| 14 |
Electronic structures and magnetism of YM2Ge2 (M=Mn–Cu): Ge-hight dependent magnetic ordering in YFe2Ge2
|
Wang, Guangtao
|
|
2016
|
121 |
C |
p. 48-53
6 p.
|
artikel
|
| 15 |
Feasibility of crystalline isostructural X2Sb2Te5 (X=Ge, Si) phase change materials in memory storage devices: First principles calculations
|
Talreja, Sonal
|
|
2016
|
121 |
C |
p. 113-118
6 p.
|
artikel
|
| 16 |
First-principles calculations of generalized-stacking-fault-energy of Co-based alloys
|
Achmad, Tria Laksana
|
|
2016
|
121 |
C |
p. 86-96
11 p.
|
artikel
|
| 17 |
First-principles study of monolayer MoS2 with deficient and excessive Mo n and S n (n =−3→3) clusters on 5×5 supercells
|
Wu, Zhaolong
|
|
2016
|
121 |
C |
p. 124-130
7 p.
|
artikel
|
| 18 |
First-principles study of the effect of boron on grain boundary in NiAl
|
Ji, Fan
|
|
2016
|
121 |
C |
p. 1-5
5 p.
|
artikel
|
| 19 |
First principles study on the electronic, elastic and vibrational properties of marcasite-type OsP2
|
Lv, Zhen-Long
|
|
2016
|
121 |
C |
p. 54-60
7 p.
|
artikel
|
| 20 |
Grain size dependence of the martensite morphology – A phase-field study
|
Cui, Shushan
|
|
2016
|
121 |
C |
p. 131-142
12 p.
|
artikel
|
| 21 |
Grain size distribution under simultaneous grain boundary migration and grain rotation in two dimensions
|
Esedoḡlu, Selim
|
|
2016
|
121 |
C |
p. 209-216
8 p.
|
artikel
|
| 22 |
IFC
|
|
|
2016
|
121 |
C |
p. IFC-
1 p.
|
artikel
|
| 23 |
Inconsistencies in modelling interstitials in FeCr with empirical potentials
|
Klaver, T.P.C.
|
|
2016
|
121 |
C |
p. 204-208
5 p.
|
artikel
|
| 24 |
Insight into the electronic and magnetic properties of TiO2 (101) surfaces with adsorbed water and ethanol molecules
|
Liu, Yanyu
|
|
2016
|
121 |
C |
p. 174-181
8 p.
|
artikel
|
| 25 |
Modeling and simulation of microcrack propagation behavior under shear stress using phase-field-crystal
|
Hu, Shi
|
|
2016
|
121 |
C |
p. 143-150
8 p.
|
artikel
|
| 26 |
Phase-field study of the pattern formation in Al–Ag–Cu under the influence of the melt concentration
|
Steinmetz, Philipp
|
|
2016
|
121 |
C |
p. 6-13
8 p.
|
artikel
|
| 27 |
Phonon spectral energy density analysis of solids: The k point reduction in the first Brillouin zone of FCC crystals and a case study on solid argon
|
Wang, Zuyuan
|
|
2016
|
121 |
C |
p. 97-105
9 p.
|
artikel
|
| 28 |
Smoothed Boundary Method for simulating bulk and grain boundary transport in complex polycrystalline microstructures
|
Yu, Hui-Chia
|
|
2016
|
121 |
C |
p. 14-22
9 p.
|
artikel
|
| 29 |
Theoretical insight into the temperature-dependent acetonitrile (ACN) solvent effect on the diacetone diperoxide (DADP)/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB) cocrystallization
|
Gao, Hong-fei
|
|
2016
|
121 |
C |
p. 232-239
8 p.
|
artikel
|
| 30 |
The role of non-hydrostatic stresses in phase transitions in boron carbide
|
Korotaev, Pavel
|
|
2016
|
121 |
C |
p. 106-112
7 p.
|
artikel
|
| 31 |
Time-dependent creep behavior of Al–SiC functionally graded beams under in-plane thermal loading
|
Golmakaniyoon, Sahar
|
|
2016
|
121 |
C |
p. 182-190
9 p.
|
artikel
|
| 32 |
Transition states energies for catalytic hydrodesulfurization reaction in Co9S8/MoS2 theoretical interface using computer-assisted simulations
|
Gonzalez, Gabriel A.
|
|
2016
|
121 |
C |
p. 240-247
8 p.
|
artikel
|
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