| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A cellular automaton-lattice Boltzmann method for modeling growth and settlement of the dendrites for Al-4.7%Cu solidification
|
Liu, L.
|
|
2018
|
146 |
C |
p. 9-17
|
artikel
|
| 2 |
Adsorption behavior of gas molecules on hydrogenated Fe(1 1 1)
|
Chen, Pan
|
|
2018
|
146 |
C |
p. 261-267
|
artikel
|
| 3 |
Anharmonicity of vibrational modes in fullerenes
|
Wang, Hengjia
|
|
2018
|
146 |
C |
p. 70-72
|
artikel
|
| 4 |
An open-source code to generate carbon nanotube/graphene junctions
|
Zhang, Hao
|
|
2018
|
146 |
C |
p. 143-149
|
artikel
|
| 5 |
A tight-binding molecular dynamics study of the noble metals Cu, Ag and Au
|
Silayi, S.
|
|
2018
|
146 |
C |
p. 278-286
|
artikel
|
| 6 |
Computational study of CNT based nanoscale reversible mass transport archival memory with Fe, Co and Ni nano-shuttles
|
Sharma, Bikash
|
|
2018
|
146 |
C |
p. 112-118
|
artikel
|
| 7 |
Computational study of the nanoscale mechanical properties of C-S-H composites under different temperatures
|
Wang, X.F.
|
|
2018
|
146 |
C |
p. 42-53
|
artikel
|
| 8 |
Computation of virtual X-ray diffraction patterns from discrete dislocation structures
|
Bertin, Nicolas
|
|
2018
|
146 |
C |
p. 268-277
|
artikel
|
| 9 |
Density functional theory study on the geometric and electronic structures of Fe2O2 and the reaction of Fe2 + O2
|
Nakazawa, Tetsuya
|
|
2018
|
146 |
C |
p. 334-345
|
artikel
|
| 10 |
Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach
|
Li, Wanxue
|
|
2018
|
146 |
C |
p. 84-89
|
artikel
|
| 11 |
Editorial Board
|
|
|
2018
|
146 |
C |
p. ii
|
artikel
|
| 12 |
Effect of different solute diffusivities on precipitate coarsening in ternary alloys
|
Bhaskar, M.S.
|
|
2018
|
146 |
C |
p. 73-83
|
artikel
|
| 13 |
Effects of alloying elements on the stability and mechanical properties of Fe3Al from first-principles calculations
|
Park, Nayoung
|
|
2018
|
146 |
C |
p. 303-309
|
artikel
|
| 14 |
Effects of ternary element additions on the generalized-stacking fault energy of Ti5Si3 in prismatic { 1 1 ¯ 00 } [ 0001 ] slip system: A first-principles study
|
Wang, Cheng
|
|
2018
|
146 |
C |
p. 255-260
|
artikel
|
| 15 |
Electronic and magnetic properties of structural defects in pristine ZrSe2 monolayer
|
Gao, Yonghui
|
|
2018
|
146 |
C |
p. 36-41
|
artikel
|
| 16 |
Electronic and magnetic properties of two dimensional cluster-assembled materials based on TM@Si12 (TM = 3d transition metal) clusters
|
Nie, Zheng
|
|
2018
|
146 |
C |
p. 134-142
|
artikel
|
| 17 |
Electronic and optical properties of vanadium oxides from first principles
|
Szymanski, N.J.
|
|
2018
|
146 |
C |
p. 310-318
|
artikel
|
| 18 |
Electronic structure and optical properties of SrTiO3 codoped by W/Mo on different cationic sites with C/N from hybrid functional calculations
|
Liu, Yanyu
|
|
2018
|
146 |
C |
p. 150-157
|
artikel
|
| 19 |
Influence of doping concentration on mechanical properties of Mo2FeB2 alloyed with Cr and Ni from first-principle calculations
|
Wang, Shuanglun
|
|
2018
|
146 |
C |
p. 18-25
|
artikel
|
| 20 |
Influence of SiC surface defects on materials removal in atmospheric pressure plasma polishing
|
Jia, Guanglu
|
|
2018
|
146 |
C |
p. 26-35
|
artikel
|
| 21 |
MatCloud: A high-throughput computational infrastructure for integrated management of materials simulation, data and resources
|
Yang, Xiaoyu
|
|
2018
|
146 |
C |
p. 319-333
|
artikel
|
| 22 |
Mechanism of NbC heterogeneous nucleation on TiN in microalloyed steel: A first-principles study
|
Zhang, Haihui
|
|
2018
|
146 |
C |
p. 126-133
|
artikel
|
| 23 |
Microstructural evolution during temperature gradient zone melting: Cellular automaton simulation and experiment
|
Zhang, Qingyu
|
|
2018
|
146 |
C |
p. 204-212
|
artikel
|
| 24 |
Migration barriers for surface diffusion on a rigid lattice: Challenges and solutions
|
Baibuz, Ekaterina
|
|
2018
|
146 |
C |
p. 287-302
|
artikel
|
| 25 |
Molecular dynamics simulation on the shape memory effect and superelasticity in NiTi shape memory alloy
|
Chen, Xiang
|
|
2018
|
146 |
C |
p. 61-69
|
artikel
|
| 26 |
Monte Carlo simulations of bulk and nano amorphous silica (a-SiO2) melts
|
Kaliannan, Naveen Kumar
|
|
2018
|
146 |
C |
p. 90-101
|
artikel
|
| 27 |
Nanomechanics and modelling of hydrogen stored carbon nanotubes under compression for PEM fuel cell applications
|
Vijayaraghavan, V.
|
|
2018
|
146 |
C |
p. 176-183
|
artikel
|
| 28 |
Nano-patterning of surfaces by ion sputtering: Numerical study of the anisotropic damped Kuramoto-Sivashinsky equation
|
Vitral, E.
|
|
2018
|
146 |
C |
p. 193-203
|
artikel
|
| 29 |
On the chemical effects in molten Ni1−xMx alloy
|
Ma, Jianbo
|
|
2018
|
146 |
C |
p. 158-175
|
artikel
|
| 30 |
Overdriven dislocation-precipitate interactions at elevated temperatures
|
Keyhani, Amirreza
|
|
2018
|
146 |
C |
p. 54-60
|
artikel
|
| 31 |
Physical properties of half-metallic AMnO3 (A = Mg, Ca) oxides via ab initio calculations
|
Amin, B.
|
|
2018
|
146 |
C |
p. 248-254
|
artikel
|
| 32 |
Polyimide electrode materials for Li-ion batteries via dispersion-corrected density functional theory
|
Lu, Huili
|
|
2018
|
146 |
C |
p. 119-125
|
artikel
|
| 33 |
Predicting the volumes of crystals
|
Chu, Iek-Heng
|
|
2018
|
146 |
C |
p. 184-192
|
artikel
|
| 34 |
Quantitative phase field modelling of precipitate coarsening in Ni-Al-Mo alloys
|
Bhaskar, M.S.
|
|
2018
|
146 |
C |
p. 102-111
|
artikel
|
| 35 |
Simple data and workflow management with the signac framework
|
Adorf, Carl S.
|
|
2018
|
146 |
C |
p. 220-229
|
artikel
|
| 36 |
The important role of oxygen defect for NO gas-sensing behavior of α-Fe2O3 (0 0 1) surface: Predicted by density functional theory
|
Li, Feifei
|
|
2018
|
146 |
C |
p. 1-8
|
artikel
|
| 37 |
Theoretical investigations on novel energetic salts composed of 4-nitro-7-(4-nitro-1,2,3-triazol-1-olate)-furazano[3,4-d]pyridazine-based anions and ammonium-based cations
|
Wang, Ke
|
|
2018
|
146 |
C |
p. 230-239
|
artikel
|
| 38 |
Tuning magnetism by strain and external electric field in zigzag Janus MoSSe nanoribbons
|
Wang, Min
|
|
2018
|
146 |
C |
p. 240-247
|
artikel
|
| 39 |
Tuning the magnetic properties of DyNiO3 by high-pressures
|
Wang, Sihan
|
|
2018
|
146 |
C |
p. 213-219
|
artikel
|
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