| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative study of image segmentation methods for micromechanical simulations of ductile damage
|
Trejo Navas, Victor Manuel
|
|
2019
|
159 |
C |
p. 43-65
|
artikel
|
| 2 |
A DFT study of dimethyl carbonate synthesis from methanol and CO2 on zirconia: Effect of crystalline phases
|
Wang, Xuhui
|
|
2019
|
159 |
C |
p. 210-221
|
artikel
|
| 3 |
A high-throughput computation framework for generalized stacking fault energies of pure metals
|
Tu, Peng
|
|
2019
|
159 |
C |
p. 357-364
|
artikel
|
| 4 |
A new algorithm to calculate binary phase diagrams
|
Fu, Taibai
|
|
2019
|
159 |
C |
p. 478-483
|
artikel
|
| 5 |
A new diagrammatic method for the prediction of solid solubility in Mg alloys based on the short-range ordered structure
|
Zhou, Jixue
|
|
2019
|
159 |
C |
p. 32-42
|
artikel
|
| 6 |
A physics-based mesoscale phase-field model for predicting the uptake kinetics of radionuclides in hierarchical nuclear wasteform materials
|
Li, Y.L.
|
|
2019
|
159 |
C |
p. 103-109
|
artikel
|
| 7 |
Atomistic simulations of hydrogen effects on tensile deformation behaviour of [0 0 1] twist grain boundaries in nickel
|
Li, Jiaqing
|
|
2019
|
159 |
C |
p. 12-23
|
artikel
|
| 8 |
Carbyne as a fiber in metal-matrix nanocomposites: A first principle study
|
Muller, Scott E.
|
|
2019
|
159 |
C |
p. 187-193
|
artikel
|
| 9 |
Computational design of microstructures of textured ferroelectric ceramics by phase field simulation
|
Zhang, Yongmei
|
|
2019
|
159 |
C |
p. 24-31
|
artikel
|
| 10 |
Concurrent grain growth and coarsening of two-phase microstructures; large scale phase-field study
|
Perumal, Ramanathan
|
|
2019
|
159 |
C |
p. 160-176
|
artikel
|
| 11 |
Debonding at the fiber/matrix interface in carbon nanotube reinforced composites: Modelling investigation
|
Matveeva, Anna Y.
|
|
2019
|
159 |
C |
p. 412-419
|
artikel
|
| 12 |
Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: A review
|
Bauchy, Mathieu
|
|
2019
|
159 |
C |
p. 95-102
|
artikel
|
| 13 |
Density functional theory-based investigations of solute kinetics and precipitate formation in binary magnesium-rare earth alloys: A review
|
Choudhuri, Deep
|
|
2019
|
159 |
C |
p. 235-256
|
artikel
|
| 14 |
DFT study on CO oxidative coupling to DMO over Pd4/TiO2 and Pd4/TiO2-Ov: A role of oxygen vacancy on support
|
Cao, Yueting
|
|
2019
|
159 |
C |
p. 1-11
|
artikel
|
| 15 |
Discovery of new ground state structures for Li4Mn2O5 and V2O5 from first principles
|
Bhandari, Arihant
|
|
2019
|
159 |
C |
p. 454-459
|
artikel
|
| 16 |
Editorial Board
|
|
|
2019
|
159 |
C |
p. ii
|
artikel
|
| 17 |
Effective mass and optical properties of orthorhombic Al1−xInxFeO3 perovskite: An ab-initio study
|
Sudha Priyanga, G.
|
|
2019
|
159 |
C |
p. 222-227
|
artikel
|
| 18 |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite–titanium biocomposite: A first-principles study
|
Grubova, Irina Yu.
|
|
2019
|
159 |
C |
p. 228-234
|
artikel
|
| 19 |
Elastic properties of 4d transition metal alloys: Values and trends
|
Al-Zoubi, Noura
|
|
2019
|
159 |
C |
p. 273-280
|
artikel
|
| 20 |
Electronic structure and thermoelectric properties of Ta-based half-Heusler compounds with 18 valence electrons
|
Hoat, D.M.
|
|
2019
|
159 |
C |
p. 470-477
|
artikel
|
| 21 |
Energy dissipation in polymer-bonded explosives with various levels of constituent plasticity and internal friction
|
Keyhani, Amirreza
|
|
2019
|
159 |
C |
p. 136-149
|
artikel
|
| 22 |
Formation of the core-shell structures from bimetallic Janus-like nanoclusters under low-energy Ar and Ar13 impacts: A molecular dynamics study
|
Shyrokorad, Dmytro
|
|
2019
|
159 |
C |
p. 110-119
|
artikel
|
| 23 |
From pentagonal geometries to two-dimensional materials
|
Zhuang, Houlong L.
|
|
2019
|
159 |
C |
p. 448-453
|
artikel
|
| 24 |
Fundamental mechanism of BCC-FCC phase transition from a constructed PdCu potential through molecular dynamics simulation
|
Wei, W.
|
|
2019
|
159 |
C |
p. 440-447
|
artikel
|
| 25 |
Graphene kirigami as reinforcement and interfacial bonding effect for toughness and strength of silicon-based nanocomposites
|
Wang, Yafei
|
|
2019
|
159 |
C |
p. 306-315
|
artikel
|
| 26 |
Impact of non-Schmid stress components present in the yield criterion for bcc metals on the activity of { 110 } 〈 111 〉 slip systems
|
Gröger, Roman
|
|
2019
|
159 |
C |
p. 297-305
|
artikel
|
| 27 |
Improved catalytic performance of monolayer nano-triangles WS2 and MoS2 on HER by 3d metals doping
|
An, Yurong
|
|
2019
|
159 |
C |
p. 333-340
|
artikel
|
| 28 |
Investigation of grain boundary and orientation effects in polycrystalline metals by a dislocation-based crystal plasticity model
|
Hu, Jianqiao
|
|
2019
|
159 |
C |
p. 86-94
|
artikel
|
| 29 |
Investigation on fracture of pre-cracked single-layer graphene sheets
|
Liu, Xuefeng
|
|
2019
|
159 |
C |
p. 365-375
|
artikel
|
| 30 |
Microstructural diagram for steel based on crystallography with machine learning
|
Tsutsui, Kazumasa
|
|
2019
|
159 |
C |
p. 403-411
|
artikel
|
| 31 |
Migration mechanisms of interphase boundaries with irrational orientation relationships in massive transformations: A phase-field crystal study
|
Huang, Yunhao
|
|
2019
|
159 |
C |
p. 420-427
|
artikel
|
| 32 |
Modelling of hysteresis loop and magnetic behaviour of Fe-48Ni alloys using artificial neural network coupled with genetic algorithm
|
Yekta, Parastoo Vahdati
|
|
2019
|
159 |
C |
p. 349-356
|
artikel
|
| 33 |
Molecular dynamics evaluation of the effects of zinc on the mechanical properties of aluminum alloys
|
Jang, Heung Woon
|
|
2019
|
159 |
C |
p. 66-72
|
artikel
|
| 34 |
Molecular dynamics study of mechanical behavior in silica glass under uniaxial deformation
|
Le, Vinh V.
|
|
2019
|
159 |
C |
p. 385-396
|
artikel
|
| 35 |
Nanomechanics of single layer hybrid boron nitride–carbon nanosheets: A molecular dynamics study
|
Vijayaraghavan, V.
|
|
2019
|
159 |
C |
p. 376-384
|
artikel
|
| 36 |
New high pressure phase of yttrium metal under ultrahigh pressure
|
Li, Peifang
|
|
2019
|
159 |
C |
p. 428-431
|
artikel
|
| 37 |
Nonequilibrium free-energy calculations of fluids using LAMMPS
|
Paula Leite, Rodolfo
|
|
2019
|
159 |
C |
p. 316-326
|
artikel
|
| 38 |
Nonlinear elastic behavior of iron-carbon alloys at the nanoscale
|
Maugis, P.
|
|
2019
|
159 |
C |
p. 460-469
|
artikel
|
| 39 |
Numerical study on the effective stiffness of topology-optimized lattice structures made of orthotropic crystal grains with optimal orientation
|
Takezawa, Akihiro
|
|
2019
|
159 |
C |
p. 202-209
|
artikel
|
| 40 |
Opto-electronic properties of non-fullerene fused-undecacyclic electron acceptors for organic solar cells
|
Ans, Muhammad
|
|
2019
|
159 |
C |
p. 150-159
|
artikel
|
| 41 |
Phase-field analysis of quenching and partitioning in a polycrystalline Fe-C system under constrained-carbon equilibrium condition
|
Kubendran Amos, P.G.
|
|
2019
|
159 |
C |
p. 281-296
|
artikel
|
| 42 |
Phase field study the effects of interfacial energy anisotropy on the thermal migration of voids
|
Chen, W.J.
|
|
2019
|
159 |
C |
p. 177-186
|
artikel
|
| 43 |
Reversing rotation of a nanomotor by introducing a braking BNC nanotube
|
Jin, Hongling
|
|
2019
|
159 |
C |
p. 327-332
|
artikel
|
| 44 |
Simulation of grain evolution in solidification of silicon on meso-scopic scale
|
Qi, Xiaofang
|
|
2019
|
159 |
C |
p. 432-439
|
artikel
|
| 45 |
Stabilities and electronic properties of vacancy-doped Ti2CO2
|
Wang, Changying
|
|
2019
|
159 |
C |
p. 127-135
|
artikel
|
| 46 |
Structural phase transitions and superconductivity of YC2 from first-principles calculations
|
Xue, Junling
|
|
2019
|
159 |
C |
p. 120-126
|
artikel
|
| 47 |
Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations
|
Scherer, C.
|
|
2019
|
159 |
C |
p. 73-85
|
artikel
|
| 48 |
Tensile behavior of γ/α 2 interface system in lamellar TiAl alloy via molecular dynamics
|
Li, Wen
|
|
2019
|
159 |
C |
p. 397-402
|
artikel
|
| 49 |
Tensile response of (1 1 0) twist grain boundaries in tungsten: A molecular dynamics study
|
Feng, Ya-Xin
|
|
2019
|
159 |
C |
p. 265-272
|
artikel
|
| 50 |
The effect of grain-size on fracture of polycrystalline silicon carbide: A multiscale analysis using a molecular dynamics-peridynamics framework
|
Gur, Sourav
|
|
2019
|
159 |
C |
p. 341-348
|
artikel
|
| 51 |
The formation and anisotropic/isotropic diffusion behaviors of vacancy in typical twin boundaries of α-Ti: An ab initio study
|
Ma, Shang-Yi
|
|
2019
|
159 |
C |
p. 257-264
|
artikel
|
| 52 |
Toughening mechanism of SIALON/Si2N2O multiphase ceramics and finite element simulation of stress field at crack tip
|
Luo, Junting
|
|
2019
|
159 |
C |
p. 194-201
|
artikel
|
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