| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio description of the different phases in the Al-Fe-V system: Structure, magnetism and thermodynamics
|
Berche, Alexandre
|
|
|
149 |
C |
p. 28-36
|
artikel
|
| 2 |
Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water
|
Wang, Haitao
|
|
|
149 |
C |
p. 143-152
|
artikel
|
| 3 |
A density functional theory investigation of the structural and optoelectronic properties of InP1−x Bi x alloys
|
Gandouzi, Mohamed
|
|
|
149 |
C |
p. 307-315
|
artikel
|
| 4 |
Analysis of dynamic recrystallization behaviors in resistance heating compressions of heat-resistant alloy by multi-field and multi-scale coupling method
|
Quan, Guo-zheng
|
|
|
149 |
C |
p. 73-83
|
artikel
|
| 5 |
An improved interatomic potential function for thermoelectric Mg2Si: A combination study of ab-initio and molecular dynamics method
|
Yu, Rui
|
|
|
149 |
C |
p. 49-56
|
artikel
|
| 6 |
Application of atomic simulation methods on the study of graphene nanostructure fabrication by particle beam irradiation: A review
|
Wu, Xin
|
|
|
149 |
C |
p. 98-106
|
artikel
|
| 7 |
A quantitative phase-field model for crevice corrosion
|
Xiao, Z.H.
|
|
|
149 |
C |
p. 37-48
|
artikel
|
| 8 |
Artificial neural network based optimization of prerequisite properties for the design of biocompatible titanium alloys
|
Noori Banu, P.S.
|
|
|
149 |
C |
p. 259-266
|
artikel
|
| 9 |
Carbon nanotube-carbyne composite: A nanoreactor in a quasi-1D liquid state
|
Ganz, Eric
|
|
|
149 |
C |
p. 409-415
|
artikel
|
| 10 |
Cluster-based niching differential evolution algorithm for optimizing the stable structures of metallic clusters
|
Yang, Yuan-Hua
|
|
|
149 |
C |
p. 416-423
|
artikel
|
| 11 |
Convolutional neural networks for atomistic systems
|
Ryczko, Kevin
|
|
|
149 |
C |
p. 134-142
|
artikel
|
| 12 |
Coupled simulation of ferrite recrystallization in a dual-phase steel considering deformation heterogeneity at mesoscale
|
Shen, Gang
|
|
|
149 |
C |
p. 191-201
|
artikel
|
| 13 |
Crystal orientation effect and multi-fidelity optimization of a solid single crystal superalloy turbine blade
|
Zhang, X.H.
|
|
|
149 |
C |
p. 84-90
|
artikel
|
| 14 |
Density functional theory calculations and analysis for the reduction of NO by H2 on Pd6/TiO2
|
Ling, Lixia
|
|
|
149 |
C |
p. 182-190
|
artikel
|
| 15 |
DFT study of high performance Pt3Sn alloy catalyst in oxygen reduction reaction
|
Wang, Xiujun
|
|
|
149 |
C |
p. 107-114
|
artikel
|
| 16 |
Dynamic mechanical analysis of bucky gel actuator electrolyte by molecular dynamics simulation
|
Ghajar, Mohammad Hossein
|
|
|
149 |
C |
p. 379-385
|
artikel
|
| 17 |
Editorial Board
|
|
|
|
149 |
C |
p. ii
|
artikel
|
| 18 |
Electromechanical properties of Boron Nitride Nanotube: Atomistic bond potential and equivalent mechanical energy approach
|
Salavati, Mohammad
|
|
|
149 |
C |
p. 460-465
|
artikel
|
| 19 |
Electronic-structure and thermodynamic properties of ZnS1− x Se x ternary alloys from the first-principles calculations
|
Long, Debing
|
|
|
149 |
C |
p. 386-396
|
artikel
|
| 20 |
Electron-phonon scattering and Joule heating in copper at extreme cold temperatures
|
Lan, Tingyue
|
|
|
149 |
C |
p. 397-408
|
artikel
|
| 21 |
First-principles calculations on Mg/TiB2 interfaces
|
Liu, Rui
|
|
|
149 |
C |
p. 373-378
|
artikel
|
| 22 |
First-principles study of interaction between vacancies and nitrogen atoms in fcc iron
|
Ye, Fei
|
|
|
149 |
C |
p. 65-72
|
artikel
|
| 23 |
First principles study of trirutile magnesium bismuth oxide: Ideal bandgap for photovoltaics, strain-mediated band-inversion and semiconductor-to-semimetal transition
|
Zhang, Chunmei
|
|
|
149 |
C |
p. 158-161
|
artikel
|
| 24 |
F-TRIDYN simulations of tungsten self-sputtering and applications to coupling plasma and material codes
|
Drobny, Jon
|
|
|
149 |
C |
p. 301-306
|
artikel
|
| 25 |
Grain size facilitating the heat transfer between graphene and silica substrate
|
Peer-Mohammadi, Hossein
|
|
|
149 |
C |
p. 348-353
|
artikel
|
| 26 |
Hybrid Monte Carlo technique for modeling of crystal nucleation and application to lithium disilicate glass-ceramics
|
McKenzie, Matthew E.
|
|
|
149 |
C |
p. 202-207
|
artikel
|
| 27 |
Influence of chemical bonding on thermal contact resistance at silica interface: A molecular dynamics simulation
|
Huang, Zun
|
|
|
149 |
C |
p. 316-323
|
artikel
|
| 28 |
Influence of cooling rate on the formation of bimodal microstructures in nickel-base superalloys during continuous two-step aging
|
Yang, Min
|
|
|
149 |
C |
p. 14-20
|
artikel
|
| 29 |
Influence of hydrogen on the grain boundary crack propagation in bcc iron: A molecular dynamics simulation
|
Jung, Seung-Pill
|
|
|
149 |
C |
p. 424-434
|
artikel
|
| 30 |
Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde
|
Ghalla, Houcine
|
|
|
149 |
C |
p. 291-300
|
artikel
|
| 31 |
Investigation of microstructure and mechanical properties of polyvinylidene fluoride/carbon nanotube composites after electric field polarization: A molecular dynamics study
|
Chen, Hui-Lung
|
|
|
149 |
C |
p. 217-229
|
artikel
|
| 32 |
Learning models for electron densities with Bayesian regression
|
Schmidt, Eric
|
|
|
149 |
C |
p. 250-258
|
artikel
|
| 33 |
Mechanical properties of defective hybrid graphene-boron nitride nanosheets: A molecular dynamics study
|
Eshkalak, Kasra Einalipour
|
|
|
149 |
C |
p. 170-181
|
artikel
|
| 34 |
Mesoscopic simulation and characterization of the morphological evolution in phase separating fluid mixtures
|
Zander, Christian
|
|
|
149 |
C |
p. 267-281
|
artikel
|
| 35 |
Mixed-mode model for ferrite-to-austenite phase transformation in dual-phase steel
|
Ollat, Mélanie
|
|
|
149 |
C |
p. 282-290
|
artikel
|
| 36 |
Modeling microstructural evolution in irradiated materials with cluster dynamics methods: A review
|
Kohnert, Aaron A.
|
|
|
149 |
C |
p. 442-459
|
artikel
|
| 37 |
Modelling the evolution of recrystallization texture for a non-grain oriented electrical steel
|
Lee, Hak Hyeon
|
|
|
149 |
C |
p. 57-64
|
artikel
|
| 38 |
Molecular dynamics simulation and experimental investigation of the geometrical morphology development of injection-molded nanopillars on polymethylmethacrylate surface
|
Zhou, Mingyong
|
|
|
149 |
C |
p. 208-216
|
artikel
|
| 39 |
Multiscale modeling of Radiation Induced Segregation in iron based alloys
|
Thuinet, L.
|
|
|
149 |
C |
p. 324-335
|
artikel
|
| 40 |
Nanoporous ZnO: Structural and electronic study under biaxial strain
|
Torrez-Baptista, Alvaro D.
|
|
|
149 |
C |
p. 91-97
|
artikel
|
| 41 |
Nature of creep deformation in nanocrystalline Tungsten
|
Saha, Sourav
|
|
|
149 |
C |
p. 360-372
|
artikel
|
| 42 |
On the performance of interatomic potential models of iron: Comparison of the phase diagrams
|
Pártay, Lívia B.
|
|
|
149 |
C |
p. 153-157
|
artikel
|
| 43 |
Phase behavior and alignment transition of ultra high molecular weight polyethylene/polyamide 6 blends under extensional and shear flow
|
Wang, Junxia
|
|
|
149 |
C |
p. 21-27
|
artikel
|
| 44 |
Phase field benchmark problems for dendritic growth and linear elasticity
|
Jokisaari, A.M.
|
|
|
149 |
C |
p. 336-347
|
artikel
|
| 45 |
Reconstruction of deformed microstructure using cellular automata method
|
Bakhtiari, Meisam
|
|
|
149 |
C |
p. 1-13
|
artikel
|
| 46 |
Satellite valleys and strained band gap transition of bulk Ge: Impact of pseudopotential approximations on quasiparticle levels
|
Greene-Diniz, G.
|
|
|
149 |
C |
p. 115-124
|
artikel
|
| 47 |
Shear relaxation behind the shock front in 1 1 0 molybdenum – From the atomic scale to continuous dislocation fields
|
Kositski, Roman
|
|
|
149 |
C |
p. 125-133
|
artikel
|
| 48 |
Structural and electronic properties of 90° dislocations in silicon nanorods: A first-principles calculation
|
Wang, Jianwei
|
|
|
149 |
C |
p. 243-249
|
artikel
|
| 49 |
The influence of the network topology on the deformation and fracture behaviour of silica glass: A molecular dynamics study
|
Ebrahem, Firaz
|
|
|
149 |
C |
p. 162-169
|
artikel
|
| 50 |
The mechanism of plastic deformation in intact and irradiated GaN during indentation: A molecular dynamics study
|
Qian, Yu
|
|
|
149 |
C |
p. 230-242
|
artikel
|
| 51 |
The role of boundary conditions in tuning the electronic properties of the (0 0 1) LaAlO3/SrTiO3 interface
|
Xue, Y.B.
|
|
|
149 |
C |
p. 354-359
|
artikel
|
| 52 |
Wetting characteristics of lithium droplet on iron surfaces in atomic scale: A molecular dynamics simulation
|
Zou, Chenxia
|
|
|
149 |
C |
p. 435-441
|
artikel
|
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