| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio based interface characterization of non-magnetic FCC metals
|
Lotfian, K.
|
|
|
235 |
C |
p.
|
artikel
|
| 2 |
AI methods in materials design, discovery and manufacturing: A review
|
Papadimitriou, Ioannis
|
|
|
235 |
C |
p.
|
artikel
|
| 3 |
A multiphase-field model for simulating the hydrogen-induced multi-spot corrosion on the surface of polycrystalline metals: Application to uranium metal
|
Sheng, Jie
|
|
|
235 |
C |
p.
|
artikel
|
| 4 |
Applying enhanced active learning to predict formation energy
|
Zha, Yang
|
|
|
235 |
C |
p.
|
artikel
|
| 5 |
Assessing lithium storage capacities and ion diffusion dynamics in N-doped double-transition metal Mo2Ti(CxN1-x)2 and Mo2Ti(CxN1-x)2O2 MXenes: A first-principles calculations
|
Liu, Jingya
|
|
|
235 |
C |
p.
|
artikel
|
| 6 |
Assessing the lanthanide pseudopotential datasets in terms of Slater-Condon spectral parameters
|
Maria Toader, Ana
|
|
|
235 |
C |
p.
|
artikel
|
| 7 |
Atomic sizes of Cu and Au in Cu-Au solid solution and the lattice relaxation effects on disorder-Cu3Au phase equilibria
|
Mohri, Tetsuo
|
|
|
235 |
C |
p.
|
artikel
|
| 8 |
Automated identification of stacking faults and twin boundaries in face-centered cubic crystal
|
Bai, Zhiwen
|
|
|
235 |
C |
p.
|
artikel
|
| 9 |
Calibration of thermal spray microstructure simulations using Bayesian optimization
|
Montes de Oca Zapiain, David
|
|
|
235 |
C |
p.
|
artikel
|
| 10 |
Data-driven analysis of dynamical heterogeneity in polymer melts near surfaces
|
Zhao, Wanchen
|
|
|
235 |
C |
p.
|
artikel
|
| 11 |
DeepMMP: Efficient 3D perception of microstructures from Serial Section Microscopic images
|
Li, Changtai
|
|
|
235 |
C |
p.
|
artikel
|
| 12 |
Density functional theory predictions of the Hf-HfC-HfN ternary: Phase stability and properties
|
Tang, Xiaochuan
|
|
|
235 |
C |
p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
|
235 |
C |
p.
|
artikel
|
| 14 |
Effect of grafting density and side chain length on the mechanical properties of comb polymers under shear flow: Insights from molecular dynamic simulations
|
Wen, Li
|
|
|
235 |
C |
p.
|
artikel
|
| 15 |
Effects of misfit dislocations and dislocation mobility on thermal boundary resistance of PbTe/PbSe interfaces
|
Taormina, Nicholas
|
|
|
235 |
C |
p.
|
artikel
|
| 16 |
Extended defects-enhanced oxygen diffusion in ThO 2
|
Jin, Miaomiao
|
|
|
235 |
C |
p.
|
artikel
|
| 17 |
Highly efficient and transferable interatomic potentials for α -iron and α -iron/hydrogen binary systems using deep neural networks
|
Zhang, Shihao
|
|
|
235 |
C |
p.
|
artikel
|
| 18 |
High-pressure crystal structure and properties of chlorine monofluoride
|
Xing, Shiyu
|
|
|
235 |
C |
p.
|
artikel
|
| 19 |
Hydration induced mechanical degradation in the Y-doped BaZrO3 solid oxide
|
Wang, Zhaoyang
|
|
|
235 |
C |
p.
|
artikel
|
| 20 |
Inverse design of Bulk metallic glasses with reduced glass transform temperatures via Target-Optimal inverse projection
|
Chang, Dongping
|
|
|
235 |
C |
p.
|
artikel
|
| 21 |
Investigating the effect of chemical structures on water sorption and diffusion in amine-cured epoxy resins by molecular dynamics simulations
|
Afsharhashemkhani, Sina
|
|
|
235 |
C |
p.
|
artikel
|
| 22 |
Investigations on electronic, magnetic, and optical properties of MnFe2O4 through first-principles calculations
|
Nguyen, Thi Dieu Hien
|
|
|
235 |
C |
p.
|
artikel
|
| 23 |
Machine learning aided prediction of sintering induced swelling in powder metallurgical Cu-Sn alloys
|
Kamal, Tafzeelul
|
|
|
235 |
C |
p.
|
artikel
|
| 24 |
Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials
|
Song, Younggil
|
|
|
235 |
C |
p.
|
artikel
|
| 25 |
Minimalist neural networks training for phase classification in diluted Ising models
|
Pavioni, G.L. Garcia
|
|
|
235 |
C |
p.
|
artikel
|
| 26 |
Molecular dynamics simulation: The roles of silane coupling agent structural configurations on quartz fiber-epoxy interface
|
Zhao, Yingying
|
|
|
235 |
C |
p.
|
artikel
|
| 27 |
N-body potential for simulation of α and β phases of zirconium
|
Vyazmin, A.V.
|
|
|
235 |
C |
p.
|
artikel
|
| 28 |
One-shot heterogeneous transfer learning from calculated crystal structures to experimentally observed materials
|
Na, Gyoung S.
|
|
|
235 |
C |
p.
|
artikel
|
| 29 |
Planar Fe:WS2/WS2/Fe:WS2 tunnel junction: Giant magnetoresistance and perfect spin filtering
|
Xu, Zhongliang
|
|
|
235 |
C |
p.
|
artikel
|
| 30 |
Polymer expert – A software tool for de novo polymer design
|
Bicerano, Jozef
|
|
|
235 |
C |
p.
|
artikel
|
| 31 |
Possible approaches for simulating the formation of fuzz structure on tungsten surface under helium irradiation
|
Wang, Jinlong
|
|
|
235 |
C |
p.
|
artikel
|
| 32 |
Stability of new structures of phosphorous-nitrogen solids at high pressure
|
Batyrev, Iskander G.
|
|
|
235 |
C |
p.
|
artikel
|
| 33 |
Study of electronic, optical and photovoltaic properties of lead-free double perovskite Cs2AgXBr6 (X = Bi, Sb): An ab initio calculations
|
Kmichou, M.
|
|
|
235 |
C |
p.
|
artikel
|
| 34 |
The effects of Escaig stress and solution concentration on the interaction between screw dislocation and coherent twin boundary in random alloys
|
Li, Run
|
|
|
235 |
C |
p.
|
artikel
|
| 35 |
The mechanism of adsorptive desulfurization on Cu and Ce exchanged Y zeolite using density functional theory
|
Sokol, Henry J.
|
|
|
235 |
C |
p.
|
artikel
|
| 36 |
Thermoelectric properties of Heusler ferrimagnetic semiconductors CrVXAl (X = Ti, Zr or Hf): A theoretical investigation using r 2 SCAN functional
|
Mouchou, S.
|
|
|
235 |
C |
p.
|
artikel
|
| 37 |
Thermomechanical fatigue life simulation using the phase field method
|
Yan, Sikang
|
|
|
235 |
C |
p.
|
artikel
|
| 38 |
The role of compositional complexity in the increased fracture resistance of high entropy alloys: Multi-scale atomistic simulations
|
Farkas, Diana
|
|
|
235 |
C |
p.
|
artikel
|
| 39 |
Towards a data-driven paradigm for characterizing plastic anisotropy using principal components analysis and manifold learning
|
Jin, Jianqiang
|
|
|
235 |
C |
p.
|
artikel
|
| 40 |
Towards quantitative evaluation of crystal structure prediction performance
|
Wei, Lai
|
|
|
235 |
C |
p.
|
artikel
|
| 41 |
Two-dimensional kagome lattice Zn 2 N 3 as an intrinsic magnetic topological insulator for quantum anomalous Hall effect
|
Li, Mingxing
|
|
|
235 |
C |
p.
|
artikel
|
| 42 |
Two-dimensional phthalocyanine frameworks: Topological descriptors, predictive models for physical properties and comparative analysis of entropies with different computational methods
|
Junias, J. Singh
|
|
|
235 |
C |
p.
|
artikel
|
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