| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An insight on the origin of half-metallicity of new equiatomic quaternary Heusler alloys PtRuTiZ (Z = Al/Si): GGA and GGA + U approaches
|
Labar, Kunal
|
|
|
220 |
C |
p.
|
artikel
|
| 2 |
Application of machine learning in the design and optimization of bimodal structural materials
|
Wang, Dong-Ming
|
|
|
220 |
C |
p.
|
artikel
|
| 3 |
Atomistic model of an oxide film in contact with a liquid metal coolant: Defects concentrations and chemical potentials of dissolved Fe–O
|
Fominykh, Nikita A.
|
|
|
220 |
C |
p.
|
artikel
|
| 4 |
A two-step data augmentation method based on generative adversarial network for hardness prediction of high entropy alloy
|
Yang, Zhiyuan
|
|
|
220 |
C |
p.
|
artikel
|
| 5 |
Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework
|
Waters, Brendon
|
|
|
220 |
C |
p.
|
artikel
|
| 6 |
Coherency loss marking the onset of degradation in high temperature creep of superalloys: Phase-field simulation coupled to strain gradient crystal plasticity
|
Ali, Muhammad Adil
|
|
|
220 |
C |
p.
|
artikel
|
| 7 |
Corrigendum to “Fundamental analysis of deformation behavior in core–shell heterostructured materials” [Comput. Mater. Sci. 215 (2022) 111818]
|
Kim, Yongju
|
|
|
220 |
C |
p.
|
artikel
|
| 8 |
Ductility reduction upon cobalt substitution in B2 NiTi
|
John, Rita
|
|
|
220 |
C |
p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
|
220 |
C |
p.
|
artikel
|
| 10 |
Effects of chemical complexity on the initial oxidation resistance of HfC1− x N x ceramics
|
Yan, Daming
|
|
|
220 |
C |
p.
|
artikel
|
| 11 |
Electronic origin of Suzuki segregation of transition metal elements in face-centered cubic Co and Ni alloys
|
Wen, Dongsheng
|
|
|
220 |
C |
p.
|
artikel
|
| 12 |
Electronic structure analysis of light-element-doped anatase TiO 2 using all-electron GW approach
|
Ishikawa, Takashi
|
|
|
220 |
C |
p.
|
artikel
|
| 13 |
Enhanced reversible hydrogen storage performance of Mg-decorated g-C2N: First principles calculations
|
Dou, Xilong
|
|
|
220 |
C |
p.
|
artikel
|
| 14 |
Enhancing property prediction and process optimization in building materials through machine learning: A review
|
Stergiou, Konstantinos
|
|
|
220 |
C |
p.
|
artikel
|
| 15 |
First investigation of the effect of strontium oxide on the structure of phosphate glasses using molecular dynamics simulations
|
Bouabdalli, El Mahdi
|
|
|
220 |
C |
p.
|
artikel
|
| 16 |
First principles characterization of C-doped magnetically-enhanced D022-Mn 3 Ga surfaces
|
Ruvalcaba, Ricardo
|
|
|
220 |
C |
p.
|
artikel
|
| 17 |
Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation
|
Qian, Junping
|
|
|
220 |
C |
p.
|
artikel
|
| 18 |
High Curie temperature Chern insulator and spin-gapless semiconducting ferromagnetic h-CrC monolayer: A first-principles study
|
Liu, Ze
|
|
|
220 |
C |
p.
|
artikel
|
| 19 |
Improving lithium polysulfides adsorption by oxygen-vacancy defects: By first-principles calculation
|
Zhang, Qi
|
|
|
220 |
C |
p.
|
artikel
|
| 20 |
Interfacial fracture analysis for heterogeneous materials based on phase field model
|
Yuan, Jihai
|
|
|
220 |
C |
p.
|
artikel
|
| 21 |
Intrinsic thermoelectric properties in biphenylene nanoribbons and effect of lattice defects
|
Xie, Zhong-Xiang
|
|
|
220 |
C |
p.
|
artikel
|
| 22 |
Machine learning mechanical properties of defect-engineered hexagonal boron nitride
|
Shen, Yi
|
|
|
220 |
C |
p.
|
artikel
|
| 23 |
Machine learning method to predict the interlayer sliding energy barrier of polarized MoS2 layers
|
Zhao, Xinpeng
|
|
|
220 |
C |
p.
|
artikel
|
| 24 |
Molecular dynamics simulation of Au-Ag nanowires under tensile loading
|
Liao, Yi
|
|
|
220 |
C |
p.
|
artikel
|
| 25 |
Nickel-based polycrystalline superalloy composition design framework based on non-dominated sorting genetic algorithm II
|
Liu, Yaxi
|
|
|
220 |
C |
p.
|
artikel
|
| 26 |
Optoelectronic properties of the two-dimensional h-BN/h-AlN superlattice by first-principles calculation
|
Xu, Weiwei
|
|
|
220 |
C |
p.
|
artikel
|
| 27 |
Phase-field simulation for voltage profile of L i x S n nanoparticle during lithiation/delithiation
|
Huang, Qi
|
|
|
220 |
C |
p.
|
artikel
|
| 28 |
Phase-field simulation of martensitic transformation with different conditions in inhomogeneous polycrystals
|
Xiang, H.
|
|
|
220 |
C |
p.
|
artikel
|
| 29 |
Prediction of organic material band gaps using graph attention network
|
Khan, Asad
|
|
|
220 |
C |
p.
|
artikel
|
| 30 |
Probing the atomic-scale deformation mechanism of single-crystal nanowires coated with a multi-component alloyed shell
|
Gan, Kefu
|
|
|
220 |
C |
p.
|
artikel
|
| 31 |
pySSpredict: A python-based solid-solution strength prediction toolkit for complex concentrated alloys
|
Wen, Dongsheng
|
|
|
220 |
C |
p.
|
artikel
|
| 32 |
Representative grain boundaries during anisotropic grain growth
|
Suhane, Ayush
|
|
|
220 |
C |
p.
|
artikel
|
| 33 |
Size-dependent optical properties of small titanium nitride nanoclusters
|
Bhagowati, Purbajyoti
|
|
|
220 |
C |
p.
|
artikel
|
| 34 |
Temperature-dependent elasticity of single crystalline graphite
|
Polewczyk, Franck
|
|
|
220 |
C |
p.
|
artikel
|
| 35 |
The effects of cation and halide anion on the stability, electronic and optical properties of double perovskite Cs2NaMX6 (M = In, Tl, Sb, bi; X = Cl, Br, I)
|
Dong, Chao
|
|
|
220 |
C |
p.
|
artikel
|
| 36 |
The evolution of carbon fiber elements and their effects on fiber mechanical properties from molecular dynamics
|
Ma, Yuanyuan
|
|
|
220 |
C |
p.
|
artikel
|
| 37 |
Theoretical screening of synergistic transition metal dual-atom catalysts for overall water splitting
|
Chang, Yaxiang
|
|
|
220 |
C |
p.
|
artikel
|
| 38 |
Theoretical study of M2CO2 MXenes stability and adsorption properties for heavy metals ions removal from water
|
Cheng, Yuwen
|
|
|
220 |
C |
p.
|
artikel
|
| 39 |
Thermodynamics of native defects in V2O5 crystal: A first-principles method
|
Song, Wenqi
|
|
|
220 |
C |
p.
|
artikel
|
| 40 |
Variations in the elastic properties and lattice parameters of Mo–Ti and Mo–Cr BCC solid solutions, as estimated by DFT calculations
|
Kaneko, Takahiro
|
|
|
220 |
C |
p.
|
artikel
|
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