| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of structural, electronic and magnetic properties of the new full Heusler alloys Co2ZrZ (Z = Pb, Bi, As)
|
Salehi, H.
|
|
|
226 |
C |
p.
|
artikel
|
| 2 |
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx
|
Peng, Qing
|
|
|
226 |
C |
p.
|
artikel
|
| 3 |
A first principles study on electronic structure, magnetic and optical characteristics of Se doped CoNiFe2O4 spinel ferrites
|
Caliskan, S.
|
|
|
226 |
C |
p.
|
artikel
|
| 4 |
An adaptive Physics-based feature engineering approach for Machine Learning-assisted alloy discovery
|
Soofi, Yasaman J.
|
|
|
226 |
C |
p.
|
artikel
|
| 5 |
An extended plane wave framework for the electronic structure calculations of twisted bilayer material systems
|
Dai, Xiaoying
|
|
|
226 |
C |
p.
|
artikel
|
| 6 |
An interpretable boosting-based predictive model for transformation temperatures of shape memory alloys
|
Zadeh, Sina Hossein
|
|
|
226 |
C |
p.
|
artikel
|
| 7 |
An investigation of slip transmission during uniaxial tensile deformation of a coarse-grained copper via EBSD characterization and crystal plasticity modelling
|
Wang, Rui
|
|
|
226 |
C |
p.
|
artikel
|
| 8 |
Application of molecular docking simulation to screening of metal–organic frameworks
|
Keshavarz, Fatemeh
|
|
|
226 |
C |
p.
|
artikel
|
| 9 |
Application of on-site hybrid exchange and correlation functional in the study of multiferroic R3c BiFeO3 compound
|
de Lima, Adilmo F.
|
|
|
226 |
C |
p.
|
artikel
|
| 10 |
Atomistic simulation for initiation of crystal slip deformation from surface of nanoscale copper single-crystal nanowires
|
Kawai, Emi
|
|
|
226 |
C |
p.
|
artikel
|
| 11 |
Chemically ordered structure and dynamics in Al80Ti20 liquids
|
Feng, Yun
|
|
|
226 |
C |
p.
|
artikel
|
| 12 |
Confined water transport and desalination mechanism through lamellar Boron-Nitride Channels: A molecular dynamics simulation study
|
Vafa, Narges
|
|
|
226 |
C |
p.
|
artikel
|
| 13 |
Data augmentation in material images using the improved HP-VAE-GAN
|
Han, Yuexing
|
|
|
226 |
C |
p.
|
artikel
|
| 14 |
Data-driven multiscale simulation of solid-state batteries via machine learning
|
Asheri, Armin
|
|
|
226 |
C |
p.
|
artikel
|
| 15 |
Editorial Board
|
|
|
|
226 |
C |
p.
|
artikel
|
| 16 |
Effect of particle insertion on Poly(3-hexylthiophene) brush’s π-π stacking
|
Pantawane, Sanwardhini
|
|
|
226 |
C |
p.
|
artikel
|
| 17 |
Effect of solute distribution on the screw dislocation motion in bcc Fe-based systems
|
Barik, Rakesh Kumar
|
|
|
226 |
C |
p.
|
artikel
|
| 18 |
Effect of transition metal on the structure and oxidation behavior of ZrB2 (0 0 0 1): Experimental and theoretical calculations
|
Zhang, Yu-tai
|
|
|
226 |
C |
p.
|
artikel
|
| 19 |
Effect of twin grain boundary on the diffusion of Cu in bulk β-Sn
|
Hao, Shiguang
|
|
|
226 |
C |
p.
|
artikel
|
| 20 |
Effects of alloying elements on the super-lattice intrinsic stacking fault energy and ideal shear strength of Ni3Al crystals
|
Yi, Zhou
|
|
|
226 |
C |
p.
|
artikel
|
| 21 |
Elastemp — A workflow to compute the quasi-harmonic temperature dependent elastic constants of materials
|
Balasubramanian, Karthik
|
|
|
226 |
C |
p.
|
artikel
|
| 22 |
Enabling automated high-throughput Density Functional Theory studies of amorphous material surface reactions
|
Siron, Martin
|
|
|
226 |
C |
p.
|
artikel
|
| 23 |
Excited states in Hartree–Fock theory
|
Gonis, A.
|
|
|
226 |
C |
p.
|
artikel
|
| 24 |
Fatigue failure of amorphous alloys under cyclic shear deformation
|
Priezjev, Nikolai V.
|
|
|
226 |
C |
p.
|
artikel
|
| 25 |
First-principles study of the optical properties of BaMoO 3 /SrHfO 3 hyperbolic metamaterials
|
Gjerde, Jonathan
|
|
|
226 |
C |
p.
|
artikel
|
| 26 |
Global sensitivity analysis of a coupled multiphysics model to predict surface evolution in fusion plasma–surface interactions
|
Robbe, Pieterjan
|
|
|
226 |
C |
p.
|
artikel
|
| 27 |
High-pressure phases of BaCN 2 explored using a genetic algorithm
|
Song, Peng
|
|
|
226 |
C |
p.
|
artikel
|
| 28 |
Identifying descriptors for perovskite structure of composite oxides and inferring formability via low-dimensional described features
|
Chen, Lanping
|
|
|
226 |
C |
p.
|
artikel
|
| 29 |
Interstitial doping promotes the hydrogen evolution activity of the CrI3 monolayer
|
Li, Lin
|
|
|
226 |
C |
p.
|
artikel
|
| 30 |
Investigating the microplastic behavior of hierarchical polycrystalline γ -TiAl microstructures
|
Motahari, Soroush
|
|
|
226 |
C |
p.
|
artikel
|
| 31 |
Investigation of the effect of stainless-steel grain size on the continuity of graphene frictional behavior using molecular dynamics (MD) simulation
|
Guo, Wanmin
|
|
|
226 |
C |
p.
|
artikel
|
| 32 |
Isotopic effect on thermal physical properties of cubic SiC
|
Brito, B.G.A.
|
|
|
226 |
C |
p.
|
artikel
|
| 33 |
Machine learning for perovskite solar cell design
|
Hui, Zhan
|
|
|
226 |
C |
p.
|
artikel
|
| 34 |
Manipulate the interfacial friction of χ3-borophene on graphene heterojunction via rotation
|
Xu, Qingsong
|
|
|
226 |
C |
p.
|
artikel
|
| 35 |
Mapping of multiphase field model parameters to physical factors in order to simulate desired phase transformations
|
Hussain, Umair
|
|
|
226 |
C |
p.
|
artikel
|
| 36 |
Molecular dynamics study of graphene-coated reinforced tribomechanical properties: Hard versus soft substrates
|
Zhou, Jiayuan
|
|
|
226 |
C |
p.
|
artikel
|
| 37 |
Phase separation kinetics of block copolymer melts confined under moving parallel walls: A DPD study
|
Singh, Ashish Kumar
|
|
|
226 |
C |
p.
|
artikel
|
| 38 |
Plastic behavior of a nanoporous high-entropy alloy under compression
|
Deluigi, O.
|
|
|
226 |
C |
p.
|
artikel
|
| 39 |
Potential application of novel graphene/diamane interface in silicon-based heterojunction with intrinsic thin layer solar cell
|
Naima,
|
|
|
226 |
C |
p.
|
artikel
|
| 40 |
Predicting elastic properties of refractory high-entropy alloys via machine-learning approach
|
Mei, Wei
|
|
|
226 |
C |
p.
|
artikel
|
| 41 |
Predicting properties of high entropy carbides from their respective binaries
|
Lim, Mina
|
|
|
226 |
C |
p.
|
artikel
|
| 42 |
Prediction of coherent interfaces between diamond and clathrate structures
|
Pospíšilová, Eva
|
|
|
226 |
C |
p.
|
artikel
|
| 43 |
Predictions of two-dimensional biphenylene GeS and its seven counterparts and possible applications
|
Zhou, Yungang
|
|
|
226 |
C |
p.
|
artikel
|
| 44 |
Probing the structural evolution, electronic and vibrational properties of anionic sodium-doped magnesium clusters
|
Li, Hong Xing
|
|
|
226 |
C |
p.
|
artikel
|
| 45 |
Scaling law for growth of misoriented equiaxed Al-Cu dendrites: A phase-field study with in situ experiment validation
|
Gong, Tongzhao
|
|
|
226 |
C |
p.
|
artikel
|
| 46 |
Self-diffusion mechanisms in Ti5Si3
|
Bakulin, Alexander V.
|
|
|
226 |
C |
p.
|
artikel
|
| 47 |
Strengthening and failure of iron-graphene composites: A molecular dynamics study
|
Rapp, Dennis
|
|
|
226 |
C |
p.
|
artikel
|
| 48 |
Structural phase transitions, mechanical and electronic properties of Zr Se 2 under high pressures via the first-principles calculations
|
Wang, Shan
|
|
|
226 |
C |
p.
|
artikel
|
| 49 |
Theoretical prediction of two-dimensional Cr3C2 monolayer and its derivatives as potential electrode of Li-ion batteries
|
Wang, Yun
|
|
|
226 |
C |
p.
|
artikel
|
| 50 |
The structural stability and mechanical properties of ZrH x from first-principles calculations
|
Zhang, Jin
|
|
|
226 |
C |
p.
|
artikel
|
| 51 |
Understanding Na+ ion diffusion in 1 T-MO2 (M = Mn, Fe, and Ni) via potential energy surface calculation
|
Ge, Yuanyuan
|
|
|
226 |
C |
p.
|
artikel
|
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