| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative study of the electronic and thermal properties of α -graphyne and α -graphdiyne nanoscrolls: Implications for thermoelectric applications
|
de Lima, Jhionathan
|
|
|
250 |
C |
p.
|
artikel
|
| 2 |
Adaptive sampling-based surrogate modeling for composite performance prediction
|
Mojumder, Satyajit
|
|
|
250 |
C |
p.
|
artikel
|
| 3 |
Atomic-scale corrosion mechanism of reinforcing steel utilizing reactive force field based on JAX-ReaxFF optimization framework
|
Liu, Guojian
|
|
|
250 |
C |
p.
|
artikel
|
| 4 |
Atomic-scale insights into the effect of Fe on phase transformation behavior of NiTi alloy
|
Liu, Xin
|
|
|
250 |
C |
p.
|
artikel
|
| 5 |
Atomistic assessment of interfacial interaction potential in tungsten twist grain boundaries
|
Hiremath, Praveenkumar
|
|
|
250 |
C |
p.
|
artikel
|
| 6 |
Controllable electronic and transport properties of the GeTe/SnS heterojunction: A theoretical study
|
Li, Yuxuan
|
|
|
250 |
C |
p.
|
artikel
|
| 7 |
Cu vacancy and Sn doping effects on electronic and optical properties of cuprous oxide: Insights from DFT+U calculations
|
Sriram, K. Nithish
|
|
|
250 |
C |
p.
|
artikel
|
| 8 |
Deciphering the atomic-scale interactions between screw dislocation and copper precipitate in austenitic stainless steel using molecular dynamics simulation
|
Biswal, Sankalp
|
|
|
250 |
C |
p.
|
artikel
|
| 9 |
Deep-learning neural network potentials for titanate perovskites
|
Wisesa, Pandu
|
|
|
250 |
C |
p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
|
250 |
C |
p.
|
artikel
|
| 11 |
Effect of interlayer spacing on the mechanical properties of the graphene oxide/thermoplastic polyurethane nanocomposite
|
Wang, Yuyang
|
|
|
250 |
C |
p.
|
artikel
|
| 12 |
Effect of Re segregation on irradiation damage behavior of Mo-Re alloys
|
Wang, Jing
|
|
|
250 |
C |
p.
|
artikel
|
| 13 |
Effect of two-phase microstructure characteristics on high strain rate elastoplastic deformation of superalloys: A three-dimensional discrete dislocation dynamics study
|
Wu, Ronghai
|
|
|
250 |
C |
p.
|
artikel
|
| 14 |
Electronic, optical, Na-Ion storage properties of aminobenzene-pillared graphene framework explored by first principles study
|
Peymanirad, F.
|
|
|
250 |
C |
p.
|
artikel
|
| 15 |
Emergent atomic environments in twisted bilayer graphene and their use in the prediction of the vibrational properties
|
Ickecan, Dilara
|
|
|
250 |
C |
p.
|
artikel
|
| 16 |
Enhancing material property prediction via a dual stream model fusing spatial and topological information
|
Xie, Jiangnan
|
|
|
250 |
C |
p.
|
artikel
|
| 17 |
Evaluation of solute segregation in SUS316L stainless steel under rapid solidification using a non-equilibrium multiphase field model
|
Segawa, Masahito
|
|
|
250 |
C |
p.
|
artikel
|
| 18 |
First-Principles insights and SCAPS-1D simulations for optimizing MASnBr3-based perovskite solar cells
|
Shah, Masood
|
|
|
250 |
C |
p.
|
artikel
|
| 19 |
High-precision grain size analysis of laser-sintered Al2O3 ceramics using a deep-learning-based ceramic grains detection neural network
|
Nie, Jiangfeng
|
|
|
250 |
C |
p.
|
artikel
|
| 20 |
Integrated approach of coarse-grained molecular dynamics calculations and machine learning for understanding mechanical properties of filler-filled polymer models
|
Yoshida, Kohei
|
|
|
250 |
C |
p.
|
artikel
|
| 21 |
Investigating charge transport layer flexibility for boosted performance in Lead-Free CsSnBr3-based perovskite solar cells
|
Shimul, Asadul Islam
|
|
|
250 |
C |
p.
|
artikel
|
| 22 |
Investigation of critical parameters influencing the homoepitaxial growth of GaN thin films via molecular dynamics simulation
|
Wu, Yongshuan
|
|
|
250 |
C |
p.
|
artikel
|
| 23 |
Local angle information propagation model based on dual scale for crystal property prediction
|
Wang, Bing
|
|
|
250 |
C |
p.
|
artikel
|
| 24 |
Machine learning assisted development of Heusler alloys for high magnetic moment
|
Liu, Kexin
|
|
|
250 |
C |
p.
|
artikel
|
| 25 |
Magnetic phases and electron–phonon coupling in La 3 Ni 2 O 7 under pressure
|
Zhu, Cong
|
|
|
250 |
C |
p.
|
artikel
|
| 26 |
Molecular simulation of the melting of PVDF crystal phases
|
Mireja, Shubham
|
|
|
250 |
C |
p.
|
artikel
|
| 27 |
Neutral supercells for charged impurities by explicit acceptor/donor compensation − Defects in diamond
|
Löfgren, Robin
|
|
|
250 |
C |
p.
|
artikel
|
| 28 |
Novel single layers of holey crystalline strcutures of Hf 8 S12 with diverse magnetic states
|
Kutlu, Tayfun
|
|
|
250 |
C |
p.
|
artikel
|
| 29 |
Numerical simulation method for the laser powder bed fusion process by lattice Boltzmann and multi-phase field methods
|
Nomoto, Sukeharu
|
|
|
250 |
C |
p.
|
artikel
|
| 30 |
Optimization of β-Ga2O3 photocathode performance based on first-principles calculations
|
Zhang, Chengzhou
|
|
|
250 |
C |
p.
|
artikel
|
| 31 |
Precision benchmarks for solids: G 0 W 0 calculations with different basis sets
|
Azizi, Maryam
|
|
|
250 |
C |
p.
|
artikel
|
| 32 |
Predicted influence of the combination of two different chemical functional groups on the separation of gas mixtures by porous aromatic frameworks
|
Wang, Yuxiang
|
|
|
250 |
C |
p.
|
artikel
|
| 33 |
Quantum machine learning for ABO3 perovskite structure prediction
|
Akrom, Muhamad
|
|
|
250 |
C |
p.
|
artikel
|
| 34 |
Structural diagrams as well as thermodynamics behaviors of alloying Ti6Al nanoparticles: A perspective from atomic simulations
|
Liu, Jie
|
|
|
250 |
C |
p.
|
artikel
|
| 35 |
γ -surface informed phase-field modeling on structures and properties of defects in FeCoNiMnAl alloys
|
Qiu, Di
|
|
|
250 |
C |
p.
|
artikel
|
| 36 |
Symmetry driven multiple phonon topology in the hexagonal RbZnSb and CsZnSb
|
T., Aiswarya
|
|
|
250 |
C |
p.
|
artikel
|
| 37 |
Tensile and shear deformation of Al/TiB2 interface with X-doped (X = Cr, Cu, Mg, Mn, Pb, Si, Zn): A first-principles study
|
Zhu, Yuanyuan
|
|
|
250 |
C |
p.
|
artikel
|
| 38 |
The effects of cross-slip capability on extended screw dislocation transmission across coherent slip interface
|
Liu, Haodong
|
|
|
250 |
C |
p.
|
artikel
|
| 39 |
The effects of Mn/O doping on electronic structure and adsorption properties of g-C3N4: First-principles investigation
|
Xiong, Jian
|
|
|
250 |
C |
p.
|
artikel
|
| 40 |
The influence of nanoforms of all-inorganic perovskites on the properties of van der Waals heterostructures formed by CsPbBr3 and WSe2: A theoretical investigation
|
Cai, Wan-Fei
|
|
|
250 |
C |
p.
|
artikel
|
| 41 |
The magnetic ordering investigation in the double perovskite Bi 2 FeB ′ O 6
|
Pang, Jiafei
|
|
|
250 |
C |
p.
|
artikel
|
| 42 |
Theoretical investigation of stability, electronic structure and strain effect of δ -AlP3 nanoribbons
|
Yang, Pei-Long
|
|
|
250 |
C |
p.
|
artikel
|
| 43 |
Toward an understanding of magnetism in the strained 1T-MnCl2: The 90° super-exchange and d-p hybridization
|
Yang, Ya
|
|
|
250 |
C |
p.
|
artikel
|
| 44 |
Tunable energy spectrum and enhanced absorption in doped CdS/ZnSe spheroidal core/shell quantum dots under the magnetic field
|
Ed-Dahmouny, A.
|
|
|
250 |
C |
p.
|
artikel
|
| 45 |
Understanding the anchoring effects of metal ions and organic ligands in two-dimensional conductive metal–organic frameworks used for lithium-sulfur batteries
|
Sun, Jiaxin
|
|
|
250 |
C |
p.
|
artikel
|
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