| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A new method of calculation of the thermodynamic properties of point defects in concentrated solid solutions: An application to VNbMoTaW alloy
|
Lipnitskii, A.G.
|
|
|
256 |
C |
p.
|
artikel
|
| 2 |
A quantum-transformer hybrid architecture for polymer property prediction: Addressing data sparsity issues
|
Zhang, Aodong
|
|
|
256 |
C |
p.
|
artikel
|
| 3 |
Atomic-scale insights into rare earth Oxo-Cation stabilization in HY zeolites: A periotic DFT study
|
Shen, Minghui
|
|
|
256 |
C |
p.
|
artikel
|
| 4 |
Comprehensive evaluation of structural stability and optoelectronic performance of double perovskites Cs2AuMCl6 (M = Sb, Bi): Insights from theoretical perspectives
|
Liu, Diwen
|
|
|
256 |
C |
p.
|
artikel
|
| 5 |
Design of Ni-based single crystal superalloys by machine learning based on data-driven multi-task optimization
|
Lian, Lixian
|
|
|
256 |
C |
p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
|
256 |
C |
p.
|
artikel
|
| 7 |
Efficient and accurate simulation of the Smith–Zener pinning mechanism during grain growth using a front-tracking numerical framework
|
Florez, Sebastian
|
|
|
256 |
C |
p.
|
artikel
|
| 8 |
Estimation of 3D grain size distributions from 2D sections in real and simulated microstructures
|
van der Jagt, Thomas
|
|
|
256 |
C |
p.
|
artikel
|
| 9 |
Exploring the microstructure–property relationship in polymer foams using advanced statistical methods, machine learning and deep learning: A review
|
Walicki, Dawid
|
|
|
256 |
C |
p.
|
artikel
|
| 10 |
Fracture behavior of ordered and disordered solids predicted by atomistic simulations
|
Chen, Zhimin
|
|
|
256 |
C |
p.
|
artikel
|
| 11 |
From SMILES to scattering: Automated high-throughput atomistic polyurethane simulations compared with WAXS data
|
Robe, Dominic
|
|
|
256 |
C |
p.
|
artikel
|
| 12 |
High-pressure stability and mechanical properties of manganese nitrides: A DFT study
|
Bazarbek, Assyl-Dastan B.
|
|
|
256 |
C |
p.
|
artikel
|
| 13 |
Improved crystal graph networks with periodic invariance from a global perspective
|
Wang, Zhihui
|
|
|
256 |
C |
p.
|
artikel
|
| 14 |
Integrated computational framework for the optimization of the microstructure in additive manufacturing of metals
|
Fachinotti, Victor D.
|
|
|
256 |
C |
p.
|
artikel
|
| 15 |
Liquid structure of SmFe12-based alloys
|
Nishio, Kengo
|
|
|
256 |
C |
p.
|
artikel
|
| 16 |
Molecular dynamics study of the effects of deposition parameters on Si0.5Ge0.5 film growth on Ge(100) substrate
|
Xie, Jianan
|
|
|
256 |
C |
p.
|
artikel
|
| 17 |
Molybdenum segregation at grain boundaries in a nanograined Ni-Mo alloy: Implications for yielding behavior and plastic deformation modes
|
Hao, Sihan
|
|
|
256 |
C |
p.
|
artikel
|
| 18 |
Morphological evolution of γ' and γ'' precipitation in a model superalloy: Insights from 3D phase-field simulations
|
Wang, Chan
|
|
|
256 |
C |
p.
|
artikel
|
| 19 |
Multiscale modeling advances in MOF-based membranes for heavy metals separation from aqueous solutions
|
Bajgiran, Negin Karimzadeh
|
|
|
256 |
C |
p.
|
artikel
|
| 20 |
New descriptors of connectivity-bottleneck effects improve understanding and prediction of diffusive transport in pore geometries
|
Barman, Sandra
|
|
|
256 |
C |
p.
|
artikel
|
| 21 |
Nonvolatile magnetoelectric coupling in 2H-VSeTe/CuInP2S6 van der Waals heterostructure
|
Yu, Weiyang
|
|
|
256 |
C |
p.
|
artikel
|
| 22 |
Quantitative insights of competitive plastic deformation mechanisms in metastable β-Ti Alloys: integrated experimental observations and a first-principles approach
|
Zhu, Zijiang
|
|
|
256 |
C |
p.
|
artikel
|
| 23 |
SimGate: A deep learning surrogate model for predicting microstructure evolution using the phase-field method
|
Wu, Pin
|
|
|
256 |
C |
p.
|
artikel
|
| 24 |
Small-cell-based fast active learning of machine learning interatomic potentials
|
Meng, Zijian
|
|
|
256 |
C |
p.
|
artikel
|
| 25 |
Thermodynamics of point defects in the AlSb phase and its influence on phase equilibrium
|
Gierlotka, Wojciech
|
|
|
256 |
C |
p.
|
artikel
|
| 26 |
Unraveling the effects of multi-phonon scattering mechanisms on lattice thermal conductivity of La2Zr2O7, La2Sr2AlO7 and LaPO4 prototype thermal barrier coatings from both perturbative and non-perturbative methods based on machine learning potential
|
He, Huaxuan
|
|
|
256 |
C |
p.
|
artikel
|
| 27 |
Vacancy diffusion in non-stoichiometric ε-WB2-x
|
Setayandeh, S.S.
|
|
|
256 |
C |
p.
|
artikel
|
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