| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A first-principles study of the effect of surface oxygen during the early stage of graphene growth on a Cu(1 1 1) surface
|
He, Yingyou
|
|
2019
|
168 |
C |
p. 17-24
|
artikel
|
| 2 |
Aging and rejuvenation during elastostatic loading of amorphous alloys: A molecular dynamics simulation study
|
Priezjev, Nikolai V.
|
|
2019
|
168 |
C |
p. 125-130
|
artikel
|
| 3 |
Atomistic modeling of polymer materials based on methacrylic copolymers with azochromophores in the side chain
|
Fominykh, Olga D.
|
|
2019
|
168 |
C |
p. 32-39
|
artikel
|
| 4 |
Computational study of metal/ceramic interfacial adhesion and barriers to shear displacement
|
Mohammad Miraz, Abu Shama
|
|
2019
|
168 |
C |
p. 104-115
|
artikel
|
| 5 |
Correlation between the microstructure and the deformation behaviour of metallic nanowires
|
Cheng, Na
|
|
2019
|
168 |
C |
p. 116-124
|
artikel
|
| 6 |
9Cr steel visualization and predictive modeling
|
Krishnamurthy, Narayanan
|
|
2019
|
168 |
C |
p. 268-279
|
artikel
|
| 7 |
Crystal morphology of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under solvents system with different polarity using molecular dynamics
|
Chen, Fang
|
|
2019
|
168 |
C |
p. 48-57
|
artikel
|
| 8 |
Cycloparaphenylene crystals: Packed carbon nanorings for energy absorption and thermal insulation
|
Zhang, Jin
|
|
2019
|
168 |
C |
p. 96-103
|
artikel
|
| 9 |
Database of novel magnetic materials for high-performance permanent magnet development
|
Nieves, P.
|
|
2019
|
168 |
C |
p. 188-202
|
artikel
|
| 10 |
Editorial Board
|
|
|
2019
|
168 |
C |
p. ii
|
artikel
|
| 11 |
Effect of Si doping on the structure and optical properties of Ge2Sb2Te5 studied by ab initio calculations
|
Yang, Fei
|
|
2019
|
168 |
C |
p. 253-259
|
artikel
|
| 12 |
Effect of surface functionalization on the structural properties of single dendrimers: Monte Carlo simulation study
|
Workineh, Zerihun G.
|
|
2019
|
168 |
C |
p. 40-47
|
artikel
|
| 13 |
Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires
|
Song, Gyuho
|
|
2019
|
168 |
C |
p. 172-179
|
artikel
|
| 14 |
Electronic structures, bonding natures and defect processes in Sn-based 211 MAX phases
|
Hadi, M.A.
|
|
2019
|
168 |
C |
p. 203-212
|
artikel
|
| 15 |
Electronic transport properties of partially hydrogenated and fluorinated borophene, a DFT study
|
Pashangpour, Mansoureh
|
|
2019
|
168 |
C |
p. 74-80
|
artikel
|
| 16 |
First principles calculation on the interface behavior of LaAlO3/(Ti,Nb)(C,N)
|
Wang, Jibo
|
|
2019
|
168 |
C |
p. 25-31
|
artikel
|
| 17 |
First-principles study of the electronic, optical and transport of few-layer semiconducting MXene
|
Zhou, Yuhong
|
|
2019
|
168 |
C |
p. 137-143
|
artikel
|
| 18 |
First-principle study on structural, linear and nonlinear optical properties of selenocyanate complex ZnCd(SeCN)4 crystal
|
Ma, Yue
|
|
2019
|
168 |
C |
p. 154-163
|
artikel
|
| 19 |
Improved mechanical and tribological properties of polytetrafluoroethylene reinforced by carbon nanotubes: A molecular dynamics study
|
Song, Jingfu
|
|
2019
|
168 |
C |
p. 131-136
|
artikel
|
| 20 |
Influence of the exchange-correlation potential and magnetic properties on the Li2FeSiO4 cathode materials
|
Lian, Dongxiao
|
|
2019
|
168 |
C |
p. 260-267
|
artikel
|
| 21 |
Martensitic transformation and magnetic properties of Heusler alloys Co-V-(Al, Ga, In)
|
Li, Qingshuai
|
|
2019
|
168 |
C |
p. 11-16
|
artikel
|
| 22 |
Mechanical performance of lightweight polycrystalline Ni nanotubes
|
Rojas-Nunez, Javier
|
|
2019
|
168 |
C |
p. 81-86
|
artikel
|
| 23 |
Mechanical properties of graphene-like BC3; a molecular dynamics study
|
Zahedi, Reza Khademi
|
|
2019
|
168 |
C |
p. 1-10
|
artikel
|
| 24 |
Molecular dynamics simulation of plastic deformation and interfacial delamination of NiTi/Ag bilayer by cyclic-nanoindentation: Effects of crystallographic orientation of substrate
|
Fazeli, Sara
|
|
2019
|
168 |
C |
p. 229-245
|
artikel
|
| 25 |
Molecular level investigation of methane and carbon dioxide adsorption on SiO2 surface
|
Zhao, Jianfei
|
|
2019
|
168 |
C |
p. 213-220
|
artikel
|
| 26 |
Molecular simulations on CO2 adsorption and adsorptive separation in fullerene impregnated MOF-177, MOF-180 and MOF-200
|
Xu, Genjian
|
|
2019
|
168 |
C |
p. 58-64
|
artikel
|
| 27 |
New insights into the determination of maximum chemical potentials to account for alkali doping in β - In 2 S 3 by ab initio calculations
|
Stoliaroff, Adrien
|
|
2019
|
168 |
C |
p. 221-228
|
artikel
|
| 28 |
Prediction of electronic structure in atomistic model using artificial neural network
|
Umeno, Y.
|
|
2019
|
168 |
C |
p. 164-171
|
artikel
|
| 29 |
Separation of nitrogen dioxide from the gas mixture with nitrogen by use of ZIF materials; computer simulation studies
|
Chokbunpiam, T.
|
|
2019
|
168 |
C |
p. 246-252
|
artikel
|
| 30 |
Solid-liquid metal interface definition studies using capillary fluctuation method
|
Brown, Nicholas T.
|
|
2019
|
168 |
C |
p. 65-73
|
artikel
|
| 31 |
Structural and electronic anisotropy, negative Poisson’s ratio, strain-sensitive Dirac-like cone in monolayer α-CSe: Tailoring electronic properties
|
Zhang, Qiang
|
|
2019
|
168 |
C |
p. 87-95
|
artikel
|
| 32 |
Towards machine learning approaches for predicting the self-healing efficiency of materials
|
Wang, Wenjun
|
|
2019
|
168 |
C |
p. 180-187
|
artikel
|
| 33 |
Void growth and coalescence in Cu-Ta metallic glasses using molecular dynamics
|
Tran, Anh-Son
|
|
2019
|
168 |
C |
p. 144-153
|
artikel
|
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