| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio modeling of helical polyacetylenes: Peierls and Mott-Hubbard metal–insulator transitions
|
Porsev, Vitaly V.
|
|
|
213 |
C |
p.
|
artikel
|
| 2 |
Anomalous transverse effects and Magneto-Optical properties of Co-based Heusler Compounds
|
C.V, Anusree
|
|
|
213 |
C |
p.
|
artikel
|
| 3 |
A phase-field study on the hydrogen-induced pitting corrosion with solid–solid phase transformation in α -Uranium
|
Sheng, Jie
|
|
|
213 |
C |
p.
|
artikel
|
| 4 |
A review on two-dimensional (2D) magnetic materials and their potential applications in spintronics and spin-caloritronic
|
Elahi, Ehsan
|
|
|
213 |
C |
p.
|
artikel
|
| 5 |
A simple formula for calculating the carrier relaxation time
|
Mili, I.
|
|
|
213 |
C |
p.
|
artikel
|
| 6 |
Atomistic kinetic Monte Carlo simulation on atomic layer deposition of TiN thin film
|
Kim, Sangtae
|
|
|
213 |
C |
p.
|
artikel
|
| 7 |
B12@Al20B12 waist drum-like molecule for hydrogen storage
|
Ai, Ling-Yan
|
|
|
213 |
C |
p.
|
artikel
|
| 8 |
Ballistic resistance of twisted bilayer graphene with interlayer sp 3-bonding on SiC substrate
|
Tian, Hong
|
|
|
213 |
C |
p.
|
artikel
|
| 9 |
Bipolar ferromagnetic semiconductor with large magnetic moment: EuGe2 monolayer
|
Gao, Zhihao
|
|
|
213 |
C |
p.
|
artikel
|
| 10 |
Comparison of bulk basic properties with different existing Ni-Fe-O empirical potentials for Fe3O4 and NiFe2O4 spinel ferrites
|
Restrepo, Óscar A.
|
|
|
213 |
C |
p.
|
artikel
|
| 11 |
Comparison of evolving interfaces, triple points, and quadruple points for discrete and diffuse interface methods
|
Eren, Erdem
|
|
|
213 |
C |
p.
|
artikel
|
| 12 |
Computational investigation of half-metallicity in d 0 half-Heusler alloys GeKZ (Z = Ca, Sr) using first-principles calculations
|
Kapil, Jyoti
|
|
|
213 |
C |
p.
|
artikel
|
| 13 |
Correlation between the breaking behavior and the initial microstructural defects of the metallic nanowires: An approach from statistical analysis
|
Shen, Kunyan
|
|
|
213 |
C |
p.
|
artikel
|
| 14 |
De novo multiscale method for nonequilibrium molecular dynamics
|
Yu, Chi-Hua
|
|
|
213 |
C |
p.
|
artikel
|
| 15 |
Differentiating the dominant intrinsic kinetics for lithium dendrite growth under different circumstances by computational study
|
Zhang, Wenhui
|
|
|
213 |
C |
p.
|
artikel
|
| 16 |
Editorial Board
|
|
|
|
213 |
C |
p.
|
artikel
|
| 17 |
Effect and mechanism of point charge defects on ferroelectric domain switching properties of HfO2-based ferroelectric thin film
|
Yang, Wanting
|
|
|
213 |
C |
p.
|
artikel
|
| 18 |
Effect of chemical composition and atomic configuration on thermodynamic stability and elastic properties of AlB 2 -type Sc 1 − x V x B2 solid solutions: A first-principles investigation
|
Mopoung, K.
|
|
|
213 |
C |
p.
|
artikel
|
| 19 |
Effects of temperature and hard segment content on the interfacial mechanical properties of graphene/thermoplastic polyurethane composites: A molecular dynamics study
|
Wang, Yuyang
|
|
|
213 |
C |
p.
|
artikel
|
| 20 |
Enhancing glass forming ability and magnetic properties of Co–Fe–Si–B metallic glasses by similar element substitution: Experimental and theoretical investigations
|
Jia, Shangke
|
|
|
213 |
C |
p.
|
artikel
|
| 21 |
Examining the thermodynamic stability of mixed principal element oxides in AlCoCrFeNi high-entropy alloy by first-principles
|
Roy, Indranil
|
|
|
213 |
C |
p.
|
artikel
|
| 22 |
Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approach
|
Tsuppayakorn-aek, Prutthipong
|
|
|
213 |
C |
p.
|
artikel
|
| 23 |
First-principles calculations of the surface states of doped and alloyed topological materials via band unfolding method
|
Dai, Zujian
|
|
|
213 |
C |
p.
|
artikel
|
| 24 |
First-principles study of structural disorder, site preference, chemical bonding and transport properties of Mg-doped tetrahedrite
|
Kapera, Krzysztof
|
|
|
213 |
C |
p.
|
artikel
|
| 25 |
First principle study of the perspective thermoelectric material LnFe4Sb12 (Ln = La- Nd, Sm-Tb, Yb)
|
Limbu, N.
|
|
|
213 |
C |
p.
|
artikel
|
| 26 |
Friction reduction in grafted carbon nanochannels by applying an electric field
|
Saleki, Omid
|
|
|
213 |
C |
p.
|
artikel
|
| 27 |
Group IV element allotropes in the Fmmm phase: First-principles calculations
|
Fan, Qingyang
|
|
|
213 |
C |
p.
|
artikel
|
| 28 |
Interactions between screw dislocation and twin boundary in high-entropy alloy: A molecular dynamic study
|
Wu, Dan
|
|
|
213 |
C |
p.
|
artikel
|
| 29 |
Investigation of carrier transport behavior for cubic CH3NH3SnX3 and CH3NH3PbX3 (X=Br and I) using Boltzmann transport equation
|
Su, Ye
|
|
|
213 |
C |
p.
|
artikel
|
| 30 |
Machine learning assisted wrinkling design of hierarchical thin sheets
|
Qiu, Xinghan
|
|
|
213 |
C |
p.
|
artikel
|
| 31 |
Magnetic field and strain effects in Janus-like Weyl semimetals MoTeSe with four Weyl points
|
Li, Y.Z.
|
|
|
213 |
C |
p.
|
artikel
|
| 32 |
Microstructural evolution and kinetics of phase separation in binary polymer blends under electric fields
|
Zhang, Gang
|
|
|
213 |
C |
p.
|
artikel
|
| 33 |
Modified embedded-atom method interatomic potentials for Al-Ti, Al-Ta, Al-Zr, Al-Nb and Al-Hf binary intermetallic systems
|
Fereidonnejad, Rahele
|
|
|
213 |
C |
p.
|
artikel
|
| 34 |
Modified extended Finnis Sinclair potential for cubic crystal metal
|
Wang, Kai
|
|
|
213 |
C |
p.
|
artikel
|
| 35 |
Multi-fidelity machine learning models for structure–property mapping of organic electronics
|
Yang, Chih-Hsuan
|
|
|
213 |
C |
p.
|
artikel
|
| 36 |
Numerical investigations on the hybrid effect and deformation mechanism of TiB2p and TiBw reinforced Cu composites prepared by in-situ mixing casting
|
Liu, Nan
|
|
|
213 |
C |
p.
|
artikel
|
| 37 |
On the neural network flow of spin configurations
|
Acevedo, Santiago
|
|
|
213 |
C |
p.
|
artikel
|
| 38 |
Perfect spin filtering of T-shaped device based on the zigzag silicon carbide nanoribbons
|
Song, Lingling
|
|
|
213 |
C |
p.
|
artikel
|
| 39 |
Phenyl- and naphthyl-type heteroatom substitution blocks in naphthylene- γ : A DFT study
|
Beserra, David Joseph Pereira
|
|
|
213 |
C |
p.
|
artikel
|
| 40 |
Predicting pitting corrosion behavior in additive manufacturing: electro-chemo-mechanical phase-field model
|
Tantratian, Karnpiwat
|
|
|
213 |
C |
p.
|
artikel
|
| 41 |
Predicting solid–liquid interfacial characteristics during rapid solidification
|
Pal, P.
|
|
|
213 |
C |
p.
|
artikel
|
| 42 |
Quantifying the atomistic free-volume morphology of materials with graph theory
|
Chapman, James
|
|
|
213 |
C |
p.
|
artikel
|
| 43 |
Recent progress in generative adversarial networks applied to inversely designing inorganic materials: A brief review
|
Jabbar, Rahma
|
|
|
213 |
C |
p.
|
artikel
|
| 44 |
Retraction notice to “Strain gradient plasticity theory to predict the input data for modeling Charpy impact energy in functionally graded steels” [Comput. Mater. Sci. 50 (2011) 3442–3449]
|
Nazari, Ali
|
|
|
213 |
C |
p.
|
artikel
|
| 45 |
Sensitivity analysis and uncertainty propagation for SMA-TB potentials
|
Trochet, M.
|
|
|
213 |
C |
p.
|
artikel
|
| 46 |
Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA
|
Cui, Hanli
|
|
|
213 |
C |
p.
|
artikel
|
| 47 |
Single-asperity failure mechanism driven by morphology and multiaxial loading using molecular dynamics simulation
|
Xie, Wenzhen
|
|
|
213 |
C |
p.
|
artikel
|
| 48 |
Stochastic model and simulation of GaN nanowires formation characterized by long incubation time followed by burst nucleation and growth
|
Sabelfeld, K.K.
|
|
|
213 |
C |
p.
|
artikel
|
| 49 |
The effect of binders on the compressive mechanical behavior and impact resistance of graphene self-assembled ball
|
Zhao, Yifan
|
|
|
213 |
C |
p.
|
artikel
|
| 50 |
Thermal transport properties of anisotropic materials RbCaX (X = As, Sb) with strong anharmonicity
|
Song, Xuhao
|
|
|
213 |
C |
p.
|
artikel
|
| 51 |
Towards an interpretable machine learning model for electrospun polyvinylidene fluoride (PVDF) fiber properties
|
Sarma, Shrutidhara
|
|
|
213 |
C |
p.
|
artikel
|
| 52 |
Transformation from a high-temperature superconductor yttrium-barium-copper oxide to a photocatalytic material yttrium-barium oxide, a DFT-based investigation
|
Cao, Run-Ze
|
|
|
213 |
C |
p.
|
artikel
|
| 53 |
Tuning bandgap and energy stability of Organic-Inorganic halide perovskites through surface engineering
|
Singh, Rahul
|
|
|
213 |
C |
p.
|
artikel
|
| 54 |
Weyl-type nodal chains in X 2 MnO 4 (X = Li, Na)
|
Kang, Ruirong
|
|
|
213 |
C |
p.
|
artikel
|
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