| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio informed solute drag assessment for ferritic steels
|
Scheiber, Daniel
|
|
|
245 |
C |
p.
|
artikel
|
| 2 |
A comparative first-principles study on the physical properties of Gd2Zr2O7 weberite and pyrochlore
|
Liu, Chenguang
|
|
|
245 |
C |
p.
|
artikel
|
| 3 |
A DFT investigation of Ti-substituted CaZrS 3 for tailored photovoltaic properties
|
A.K., Sneha
|
|
|
245 |
C |
p.
|
artikel
|
| 4 |
Adsorption mechanism of hydroxyl polytridecaaluminum on kaolinite surface: A DFT study
|
Wang, Yuzhen
|
|
|
245 |
C |
p.
|
artikel
|
| 5 |
A molecular insight into frictional properties of hexagonal boron nitride: Exploring surface roughness and force field impact
|
Verma, Ashutosh Kumar
|
|
|
245 |
C |
p.
|
artikel
|
| 6 |
Anisotropic power diagrams for polycrystal modelling: Efficient generation of curved grains via optimal transport
|
Buze, M.
|
|
|
245 |
C |
p.
|
artikel
|
| 7 |
Bayesian inverse inference of material properties from microstructure images
|
Noguchi, Satoshi
|
|
|
245 |
C |
p.
|
artikel
|
| 8 |
Cellular automata-lattice Boltzmann model for polycrystalline solidification with motion of numerous dendrites
|
Zhang, Shijie
|
|
|
245 |
C |
p.
|
artikel
|
| 9 |
Computational approach to modeling electronic properties of titanium oxynitride systems
|
Odusanya, Abiodun A.
|
|
|
245 |
C |
p.
|
artikel
|
| 10 |
Computational insights into the structural, thermodynamic and transport properties of CaF2-MgF2 binary fluoride system at high temperatures
|
Zhang, Yifan
|
|
|
245 |
C |
p.
|
artikel
|
| 11 |
Developing a predictive model for the maximum power conversion efficiency of inorganic perovskites: A combined approach using density functional theory and machine learning
|
Han, Yuling
|
|
|
245 |
C |
p.
|
artikel
|
| 12 |
Dimensionality and strain-dependent properties of Orthorhombic (100) NaTaO3 thin films: A comprehensive DFT investigation
|
Portugal, Guilherme Ribeiro
|
|
|
245 |
C |
p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
|
245 |
C |
p.
|
artikel
|
| 14 |
Effect of residual stress on mechanical properties of Triply periodic minimal surface lattice structures in Additive manufacturing
|
Huang, Xinyu
|
|
|
245 |
C |
p.
|
artikel
|
| 15 |
Effects of spatial microstructure characteristics on mechanical properties of dual phase steel by inverse analysis and machine learning approach
|
Lertkiatpeeti, Kullapong
|
|
|
245 |
C |
p.
|
artikel
|
| 16 |
Electrical conductivity of graphene/copper composites at lattice scale
|
He, Shiyu
|
|
|
245 |
C |
p.
|
artikel
|
| 17 |
Electronic structure and theoretical exfoliation of non-van der Waals carbonates into low-dimensional materials: A case of Y2(CO3)3
|
Kirshneva, Elizaveta A.
|
|
|
245 |
C |
p.
|
artikel
|
| 18 |
Extensive study of droplet dynamics with end-grafted polymer chains in Pickering emulsions: Molecular Dynamics simulation and a generic model derived from the generalized Langevin equation
|
Lazaar, Oussama
|
|
|
245 |
C |
p.
|
artikel
|
| 19 |
Factors influencing the stability of Pt-based ORR electrocatalysts in HT-PEMFCs: A theoretical investigation
|
Zhang, Xiaoming
|
|
|
245 |
C |
p.
|
artikel
|
| 20 |
First-principles analysis of improved thermodynamic stability and mechanical properties in pseudo-binary Y 1 − x V x B2 alloys
|
Mopoung, K.
|
|
|
245 |
C |
p.
|
artikel
|
| 21 |
First-Principles study of hydrogen solubility and embrittlement of Cr23C6 in nickel-based alloys
|
Yu, Chenjun
|
|
|
245 |
C |
p.
|
artikel
|
| 22 |
First principles study of perfluoroalkyl substance adsorption in M -MOF-74 metal organic frameworks
|
Mottern, Daniel
|
|
|
245 |
C |
p.
|
artikel
|
| 23 |
Fitting to magnetic forces improves the reliability of magnetic Moment Tensor Potentials
|
Kotykhov, Alexey S.
|
|
|
245 |
C |
p.
|
artikel
|
| 24 |
Giant tunnel magnetoresistance in in-plane magnetic tunnel junctions based on the heterointerface-induced half-metallic 2H-VS 2
|
Song, Lingling
|
|
|
245 |
C |
p.
|
artikel
|
| 25 |
High-precision corrosion degree nondestructive segmentation method with virtual and real synthetic data labeled by unsupervised learning
|
Wang, Qiuji
|
|
|
245 |
C |
p.
|
artikel
|
| 26 |
Interfacial thermal conductance in 2D WS2/MoSe2 and MoS2/MoSe2 lateral heterostructures
|
Xu, Shihao
|
|
|
245 |
C |
p.
|
artikel
|
| 27 |
Investigation into the strength of β-Sn/α-CoSn3 and Co/α-CoSn3 interfaces with Ni-doped α-CoSn3 using first-principles calculations
|
Wang, Tao
|
|
|
245 |
C |
p.
|
artikel
|
| 28 |
Kinetics of hydrogen transport through orthorhombic InVO4, a theoretical study
|
Rosen, Benjamin
|
|
|
245 |
C |
p.
|
artikel
|
| 29 |
Liquid thermophysical properties of Ag-Si alloy based on deep learning potential
|
Chen, H.M.
|
|
|
245 |
C |
p.
|
artikel
|
| 30 |
Micromagnetic behavior of permalloy (Ni80Fe20) nanodots as a function of aspect ratio
|
Galvis, Mauricio
|
|
|
245 |
C |
p.
|
artikel
|
| 31 |
Molecular dynamics simulations of neutron induced collision cascades in Zr — Statistical modelling of irradiation damage and potential applications
|
Barzdajn, Bartosz
|
|
|
245 |
C |
p.
|
artikel
|
| 32 |
Multi-phase-field modeling of the dissolution behavior of stoichiometric particles on experimentally relevant length scales
|
Verbeeck, Héléna
|
|
|
245 |
C |
p.
|
artikel
|
| 33 |
Optimizing SEM parameters for segmentation with AI – Part 2: Designing and training a regression model
|
Clusiau, Sabrina
|
|
|
245 |
C |
p.
|
artikel
|
| 34 |
Optimizing SEM parameters for segmentation with AI – Part 1: Generating a training set
|
Clusiau, Sabrina
|
|
|
245 |
C |
p.
|
artikel
|
| 35 |
Predicting the adsorption configurations of water clusters on –COOH and –OH using DFT calculations
|
Wang, Chengyong
|
|
|
245 |
C |
p.
|
artikel
|
| 36 |
Pt3Zr alloy as a protective coating against oxidation and hydrogen attack on Zr-based components in nuclear reactors
|
Arellano, J.S.
|
|
|
245 |
C |
p.
|
artikel
|
| 37 |
Shock-induced phase transition and damage in nano-polycrystalline graphite affected by grain boundaries
|
Liu, Junjie
|
|
|
245 |
C |
p.
|
artikel
|
| 38 |
Stable novel silicon allotropes in space group P2/m with various band gap structures by high-throughput screening
|
Lin, Zehao
|
|
|
245 |
C |
p.
|
artikel
|
| 39 |
Structural, electronic and magnetic properties of double-Ge-layer MAX phase Cr2Ge2C: DFT study
|
Berrouna, H.
|
|
|
245 |
C |
p.
|
artikel
|
| 40 |
Study of native point defects in Al0.5Ga0.5N by first principles calculations
|
Zhang, Libin
|
|
|
245 |
C |
p.
|
artikel
|
| 41 |
The effects of refractory elements on the properties of quaternary high entropy carbides—A first-principles and experiment study
|
Feng, Xueke
|
|
|
245 |
C |
p.
|
artikel
|
| 42 |
Theoretical exploration of AlB2 monolayer with high energy storage properties in the field of ion battery materials
|
Ma, Shihao
|
|
|
245 |
C |
p.
|
artikel
|
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