| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerated search for perovskite materials with higher Curie temperature based on the machine learning methods
|
Zhai, Xiuyun
|
|
|
151 |
C |
p. 41-48
|
artikel
|
| 2 |
Accurate and efficient band-offset calculations from density functional theory
|
Weston, L.
|
|
|
151 |
C |
p. 174-180
|
artikel
|
| 3 |
A comparative study of primary damage state in Ni and NiCr/NiFe with a model grain boundary structure
|
Arjhangmehr, A.
|
|
|
151 |
C |
p. 1-13
|
artikel
|
| 4 |
A molecular dynamics based cohesive zone model for predicting interfacial properties between graphene coating and aluminum
|
Jiang, Wu-Gui
|
|
|
151 |
C |
p. 117-123
|
artikel
|
| 5 |
Anharmonic phonon effects on linear thermal expansion of trigonal bismuth selenide and antimony telluride crystals
|
Gan, Chee Kwan
|
|
|
151 |
C |
p. 49-52
|
artikel
|
| 6 |
A numerical approach to compensate for phase field interface effects in alloy solidification
|
Bollada, P.C.
|
|
|
151 |
C |
p. 338-350
|
artikel
|
| 7 |
Atomistic mechanisms for temperature-induced crystallization of amorphous copper based on molecular dynamics simulation
|
Zhang, Yanqiu
|
|
|
151 |
C |
p. 25-33
|
artikel
|
| 8 |
Atomistic simulations on the dynamic properties of shock and release melting in single crystal Al
|
Shao, Jian-Li
|
|
|
151 |
C |
p. 240-245
|
artikel
|
| 9 |
Carbon dioxide adsorption through carbon adsorbent structures: Effect of the porosity size, chemical potential and temperature
|
Kouetcha, Daniella Nguemalieu
|
|
|
151 |
C |
p. 255-272
|
artikel
|
| 10 |
Comparison of empirical potentials for calculating structural properties of amorphous carbon films by molecular dynamics simulation
|
Li, Xiaowei
|
|
|
151 |
C |
p. 246-254
|
artikel
|
| 11 |
CO oxidation on Ni doped and Ni-M (M = Ca, Sc, V, Cu) bimetal-doped graphene: A first-principles study
|
Yuan, Peng-Fei
|
|
|
151 |
C |
p. 189-195
|
artikel
|
| 12 |
Deep learning approaches for mining structure-property linkages in high contrast composites from simulation datasets
|
Yang, Zijiang
|
|
|
151 |
C |
p. 278-287
|
artikel
|
| 13 |
Defect engineering, a path to make ultra-high strength low-dimensional nanostructures
|
Attariani, Hamed
|
|
|
151 |
C |
p. 307-316
|
artikel
|
| 14 |
Density functional theory study of { 1 0 1 ¯ n } twin boundaries of Zn under high pressure
|
Liu, Guisen
|
|
|
151 |
C |
p. 106-116
|
artikel
|
| 15 |
Design of novel phenanthrocarbazole dyes for efficient applications in dye-sensitized solar cells
|
Fan, Wen-Jie
|
|
|
151 |
C |
p. 34-40
|
artikel
|
| 16 |
Editorial Board
|
|
|
|
151 |
C |
p. ii
|
artikel
|
| 17 |
Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO2
|
Belošević-Čavor, J.
|
|
|
151 |
C |
p. 328-337
|
artikel
|
| 18 |
Effect of sample size, temperature and strain velocity on mechanical properties of plumbene by tensile loading along longitudinal direction: A molecular dynamics study
|
Das, Dhiman Kumar
|
|
|
151 |
C |
p. 196-203
|
artikel
|
| 19 |
Effects of diverse metal adsorptions on the electronic and optical properties of the β-Si3N4 (2 0 0) surface: A first-principles study
|
Lu, Xuefeng
|
|
|
151 |
C |
p. 296-306
|
artikel
|
| 20 |
Few-layer p-type phosphorene sheet: An efficient transparent conducting electrode in silicon heterojunction solar cell
|
Borah, Chandra Kamal
|
|
|
151 |
C |
p. 65-72
|
artikel
|
| 21 |
First-principles studies of effects of layer stacking, opposite atoms, and stacking order on two-photon absorption of two-dimensional layered silicon carbide
|
Lan, You-Zhao
|
|
|
151 |
C |
p. 231-239
|
artikel
|
| 22 |
Generation of virtual lithium-ion battery electrode microstructures based on spatial stochastic modeling
|
Westhoff, Daniel
|
|
|
151 |
C |
p. 53-64
|
artikel
|
| 23 |
Interfacial properties and band alignment of noble-metal/anatase TiO2(1 0 1) hetero-structures
|
Yang, Chen
|
|
|
151 |
C |
p. 160-173
|
artikel
|
| 24 |
MD simulation studies on the effect of the temperature and protonation state on the imide-linked amino acid-based dendrimers
|
Ghadari, Rahim
|
|
|
151 |
C |
p. 124-131
|
artikel
|
| 25 |
Melting of graphene supported Pd-Pt core-shell nanoparticles: A molecular dynamics study
|
Mobedpour, Bahareh
|
|
|
151 |
C |
p. 132-143
|
artikel
|
| 26 |
Molecular dynamics simulations of aluminum nanoparticles adsorbed by ethanol molecules using the ReaxFF reactive force field
|
Liu, Junpeng
|
|
|
151 |
C |
p. 95-105
|
artikel
|
| 27 |
Nonequilibrium grain boundaries and their relaxation under oscillating stresses in columnar nickel nanocrystals studied by molecular dynamics
|
Nazarov, Ayrat A.
|
|
|
151 |
C |
p. 204-213
|
artikel
|
| 28 |
Numerical modelling of entangled carbon fibre material under compression
|
Chatti, Fadhel
|
|
|
151 |
C |
p. 14-24
|
artikel
|
| 29 |
On the diversity in the thermal transport properties of graphene: A first-principles-benchmark study testing different exchange-correlation functionals
|
Qin, Guangzhao
|
|
|
151 |
C |
p. 153-159
|
artikel
|
| 30 |
Phase-field modeling of θ′ precipitation kinetics in 319 aluminum alloys
|
Ji, Yanzhou
|
|
|
151 |
C |
p. 84-94
|
artikel
|
| 31 |
Phase-field simulation of spinodal decomposition and its effect on stress-induced martensitic transformation in Ti–Nb–O alloys
|
Ishiguro, Yuya
|
|
|
151 |
C |
p. 222-230
|
artikel
|
| 32 |
Plastic flow and dislocation strengthening in a dislocation density based formulation of plasticity
|
Sudmanns, M.
|
|
|
151 |
C |
p. 317-327
|
artikel
|
| 33 |
Point defects production and energy thresholds for displacements in crystalline and amorphous SiC
|
Cowen, Benjamin J.
|
|
|
151 |
C |
p. 73-83
|
artikel
|
| 34 |
Tensile mechanical characteristics and deformation mechanism of metal-graphene nanolayered composites
|
Rezaei, Reza
|
|
|
151 |
C |
p. 181-188
|
artikel
|
| 35 |
Tensile responses of carbon nanotubes-reinforced copper nanocomposites: Molecular dynamics simulation
|
Yan, Yuping
|
|
|
151 |
C |
p. 273-277
|
artikel
|
| 36 |
Thermal stability of NO on Ga-doped graphene and effect of external electric field
|
Liang, Xiongyi
|
|
|
151 |
C |
p. 214-221
|
artikel
|
| 37 |
Trapping/detrapping kinetic rates of hydrogen around a vacancy in nickel and some consequences on the hydrogen-vacancy clusters thermodynamic equilibrium
|
Metsue, Arnaud
|
|
|
151 |
C |
p. 144-152
|
artikel
|
| 38 |
Two-dimensional silicon carbide structure under uniaxial strains, electronic and bonding analysis
|
Belarouci, Salim
|
|
|
151 |
C |
p. 288-295
|
artikel
|
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