| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational model of peridynamic theory for deflecting behavior of crack propagation with micro-cracks
|
Basoglu, Muhammed Fatih
|
|
2019
|
162 |
C |
p. 33-46
|
artikel
|
| 2 |
Adsorption and migration of selenium atoms on a hydrogen-terminated diamond (0 0 1) surface: A first-principles study
|
Liu, Xuejie
|
|
2019
|
162 |
C |
p. 186-198
|
artikel
|
| 3 |
A multiscale study of the size-effect in nanoindentation of Au nanoparticles
|
Roy, S.
|
|
2019
|
162 |
C |
p. 47-59
|
artikel
|
| 4 |
A parametric study of morphology selection in equiaxed dendritic solidification
|
Kim, Geunwoo
|
|
2019
|
162 |
C |
p. 76-81
|
artikel
|
| 5 |
Are vinyl coupled furan derivatives better than vinyl coupled thiophene derivatives for optoelectronic applications? – Answers from DFT/TDDFT calculations
|
Gajalakshmi, Duraikannu
|
|
2019
|
162 |
C |
p. 60-68
|
artikel
|
| 6 |
Atomistic simulations of energies for arbitrary grain boundaries. Part II: Statistical analysis of energies for tilt and twist grain boundaries
|
Yang, Liang
|
|
2019
|
162 |
C |
p. 268-276
|
artikel
|
| 7 |
Comparison of interatomic potential models on the molecular dynamics simulation of fast-ion conductors: A case study of a Li garnet oxide Li7La3Zr2O12
|
Dai, Jin
|
|
2019
|
162 |
C |
p. 333-339
|
artikel
|
| 8 |
Corrigendum to: “Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride” [Computational Materials Science 128 (2017) 45–58]
|
Lebedeva, Irina V.
|
|
2019
|
162 |
C |
p. 370
|
artikel
|
| 9 |
Data mining to predict the average outer diameter of vertically aligned TiO2 nanotubes
|
Caro-Gutiérrez, Jesús
|
|
2019
|
162 |
C |
p. 82-87
|
artikel
|
| 10 |
Deformation mechanisms of mechanically induced phase transformations in iron
|
Ou, Xiaoqin
|
|
2019
|
162 |
C |
p. 12-20
|
artikel
|
| 11 |
DFT-TDDFT framework of diphenylamine based mixed valence compounds for optoelectronic applications – Structural modification of π-acceptors
|
Bella, Antony Paulraj
|
|
2019
|
162 |
C |
p. 359-369
|
artikel
|
| 12 |
Dominant in-plane cleavage direction of CrPS4
|
Joe, Minwoong
|
|
2019
|
162 |
C |
p. 277-280
|
artikel
|
| 13 |
Editorial Board
|
|
|
2019
|
162 |
C |
p. ii
|
artikel
|
| 14 |
Effect of carbon on elastic properties and microstructure of maraging steel: First-principles and phase-field study
|
Razumovskiy, Vsevolod I.
|
|
2019
|
162 |
C |
p. 1-11
|
artikel
|
| 15 |
Effect of stacking fault and amorphous boundary on plastic deformation mechanism of dual-phase nanostructure Mg alloys
|
Song, H.Y.
|
|
2019
|
162 |
C |
p. 199-205
|
artikel
|
| 16 |
Effect of the heteroatom-separation on the electron transport behavior of heteroacene-junctions
|
Zhang, Liuyue
|
|
2019
|
162 |
C |
p. 124-132
|
artikel
|
| 17 |
Effects of electron-phonon coupling and electronic thermal conductivity in high energy molecular dynamics simulations of irradiation cascades in nickel
|
Zarkadoula, Eva
|
|
2019
|
162 |
C |
p. 156-161
|
artikel
|
| 18 |
Effects of transmutation elements in tungsten
|
Zhao, Qiang
|
|
2019
|
162 |
C |
p. 133-139
|
artikel
|
| 19 |
Electronic and mechanic properties of a new cubic boron nitride
|
Mei, Hua Yue
|
|
2019
|
162 |
C |
p. 111-115
|
artikel
|
| 20 |
Ewald summation for ferroelectric perovksites with charges and dipoles
|
Wang, D.
|
|
2019
|
162 |
C |
p. 314-321
|
artikel
|
| 21 |
Exploring high-pressure iron boride compounds: Structural electronics and mechanical properties
|
Harran, Ismail
|
|
2019
|
162 |
C |
p. 69-75
|
artikel
|
| 22 |
Fracture resistance of textured polycrystalline Zr: A simulation study
|
Bertolino, G.
|
|
2019
|
162 |
C |
p. 304-313
|
artikel
|
| 23 |
Inertial migration of neutrally buoyant prolate and oblate spheroids in plane Poiseuille flow using dissipative particle dynamics simulations
|
Huang, Yuanding
|
|
2019
|
162 |
C |
p. 178-185
|
artikel
|
| 24 |
Learning to fail: Predicting fracture evolution in brittle material models using recurrent graph convolutional neural networks
|
Schwarzer, Max
|
|
2019
|
162 |
C |
p. 322-332
|
artikel
|
| 25 |
Molecular dynamics simulation on the buckling of single-layer MoS2 sheet with defects under uniaxial compression
|
Li, Yao
|
|
2019
|
162 |
C |
p. 116-123
|
artikel
|
| 26 |
Molecular dynamics simulations of friction forces between silica nanospheres
|
Sun, Weifu
|
|
2019
|
162 |
C |
p. 96-110
|
artikel
|
| 27 |
Molecular dynamics simulations on the effect of energy deposition rate on the electrical explosion of metal nanowires
|
Lv, Fangwei
|
|
2019
|
162 |
C |
p. 88-95
|
artikel
|
| 28 |
Multiscale dendritic needle network model of alloy solidification with fluid flow
|
Tourret, D.
|
|
2019
|
162 |
C |
p. 206-227
|
artikel
|
| 29 |
Numerical microstructure prediction by a coupled finite element cellular automaton model for selective electron beam melting
|
Koepf, J.A.
|
|
2019
|
162 |
C |
p. 148-155
|
artikel
|
| 30 |
Phonon spectrum and phonon focusing in coarse-grained atomistic simulations
|
Li, Yang
|
|
2019
|
162 |
C |
p. 21-32
|
artikel
|
| 31 |
Precipitation of L12-phase nano-particles in dilute Al-Er-Zr alloys from the first-principles
|
Zhang, Chaomin
|
|
2019
|
162 |
C |
p. 171-177
|
artikel
|
| 32 |
Prediction, and physic-chemical properties of (TiO2) n n = 15–20 clusters and their possible catalytic application: A DFT study
|
Hernández, A. Bautista
|
|
2019
|
162 |
C |
p. 228-235
|
artikel
|
| 33 |
Pressure-induced phase transformations in Fe-C: Molecular dynamics approach
|
Luu, Hoang-Thien
|
|
2019
|
162 |
C |
p. 295-303
|
artikel
|
| 34 |
Spall damage in single crystal Al with helium bubbles under decaying shock loading via molecular dynamics study
|
Zhou, Ting-Ting
|
|
2019
|
162 |
C |
p. 255-267
|
artikel
|
| 35 |
Synergistic effect of metal-nonmetal substitution on oxygen activation in Pd/C- and Pd/N-substituted TiO 2
|
Sai Phani Kumar, V.
|
|
2019
|
162 |
C |
p. 349-358
|
artikel
|
| 36 |
Temperature and crystal orientation dependence of dislocation slip and twin nucleation in bilayer Ni/Ni3Al interface
|
Yu, Jingui
|
|
2019
|
162 |
C |
p. 162-170
|
artikel
|
| 37 |
Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation
|
Yin, Qiuyun
|
|
2019
|
162 |
C |
p. 340-348
|
artikel
|
| 38 |
Tetra-SiC – New allotrope of 2D silicon carbide
|
Van Hoang, Vo
|
|
2019
|
162 |
C |
p. 236-244
|
artikel
|
| 39 |
The inherent behavior of graphene flakes in water: A molecular dynamics study
|
Solanky, Priyanka
|
|
2019
|
162 |
C |
p. 140-147
|
artikel
|
| 40 |
Understanding grain boundaries – The role of crystallography, structural descriptors and machine learning
|
Patala, Srikanth
|
|
2019
|
162 |
C |
p. 281-294
|
artikel
|
| 41 |
Understanding the role of general interfaces in the overall behavior of composites and size effects
|
Firooz, Soheil
|
|
2019
|
162 |
C |
p. 245-254
|
artikel
|
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