| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of hydrogen in titanium beryllides
|
Bachurin, D.V.
|
|
|
231 |
C |
p.
|
artikel
|
| 2 |
A combined first-principles calculations and X-ray photoelectron spectroscopy of Ce2T3X9 (T = Rh, Ru, Ir; X = Al, Ga): Possible strong topological insulator state in Ce2Ir3Al9
|
Goraus, J.
|
|
|
231 |
C |
p.
|
artikel
|
| 3 |
A comprehensive DFT + U investigation of electrical, optical, and structural properties of doped CsSnCl3 Perovskite: Unveiling optoelectronic potential
|
Paul, Dholon Kumar
|
|
|
231 |
C |
p.
|
artikel
|
| 4 |
Adsorption properties of noble-metal (Ag, Rh, or Au)-doped CeO2(110) to CO: A DFT + U study
|
Yang, Yuepeng
|
|
|
231 |
C |
p.
|
artikel
|
| 5 |
A first-principles study of the electronic structure, surface stability, and band alignment of niobium pentoxide
|
Valencia-Balvín, C.
|
|
|
231 |
C |
p.
|
artikel
|
| 6 |
A first-principles study on Ga stabilized δ-Pu phase stability based on structural and electronic properties
|
Barman, Sajib K.
|
|
|
231 |
C |
p.
|
artikel
|
| 7 |
A molecular-dynamics-based model for the rate- and crosslink-density-dependent deformation of silicone rubber
|
Li, Yao
|
|
|
231 |
C |
p.
|
artikel
|
| 8 |
An approach to evaluate the accuracy of interatomic potentials as applied to tungsten
|
Kosarev, I.V.
|
|
|
231 |
C |
p.
|
artikel
|
| 9 |
Bayesian active machine learning for Cluster expansion construction
|
Chen, Hantong
|
|
|
231 |
C |
p.
|
artikel
|
| 10 |
Charge-transfer interatomic potential to reproduce 30° partial dislocation movements for 4H-SiC in the surface vicinity and its application to BPD-TED conversion
|
Hirano, Atsuo
|
|
|
231 |
C |
p.
|
artikel
|
| 11 |
Chlorinated phosphorene for energy application
|
Hassani, Nasim
|
|
|
231 |
C |
p.
|
artikel
|
| 12 |
Computational prediction of ideal strength for a material
|
Wang, Zixun
|
|
|
231 |
C |
p.
|
artikel
|
| 13 |
Corrigendum to “Efficiency and accuracy of GPU-parallelized Fourier spectral methods for solving phase-field models” [Comput. Mater. Sci. 228 (2023) 112313]
|
Boccardo, A.D.
|
|
|
231 |
C |
p.
|
artikel
|
| 14 |
Deciphering the structural evolutions and electronic features of Nd3+:K2YF5 nanocrystals
|
Xiao, Yang
|
|
|
231 |
C |
p.
|
artikel
|
| 15 |
Development of charge-transfer interatomic potential for O-Fe-P-Zn systems and its application to tribochemical reactions between ZnDTP-derived tribofilm and iron oxide
|
Sakakima, Hiroki
|
|
|
231 |
C |
p.
|
artikel
|
| 16 |
DFT based kinetic Monte Carlo study of metal surface Growth: Comparison of a restricted and an unrestricted diffusion model
|
García-García, Sebastián
|
|
|
231 |
C |
p.
|
artikel
|
| 17 |
Dislocation evolution mechanism of plastic deformation process of AZ31 magnesium alloy with different grain size
|
Xue, Chun
|
|
|
231 |
C |
p.
|
artikel
|
| 18 |
Doping engineering of monolayer MSe (M = Ga, In) by high-throughput first-principles calculations
|
Zhang, Zhineng
|
|
|
231 |
C |
p.
|
artikel
|
| 19 |
Edge tailored MgO nanoribbon for negative differential resistance/nanointerconnect applications
|
Krishna, M. Sankush
|
|
|
231 |
C |
p.
|
artikel
|
| 20 |
Editorial Board
|
|
|
|
231 |
C |
p.
|
artikel
|
| 21 |
Effect of boron content on the electrochemical properties of layered Lix(ByC1-y)2 anodes with 5-, 6-, and 8-membered-ring structure
|
Peng, Fanglin
|
|
|
231 |
C |
p.
|
artikel
|
| 22 |
Effect of carboxyl group introduction and graft modification on the thermal properties and Fe wall adsorption performance of HNBR
|
Wang, Zepeng
|
|
|
231 |
C |
p.
|
artikel
|
| 23 |
Effect of external electric field on agglomeration characteristics of Cu nanoparticles: A molecular dynamics study
|
Wang, Jingtao
|
|
|
231 |
C |
p.
|
artikel
|
| 24 |
Effects of sulfur vacancies on friction of two-dimensional MoS 2
|
Xu, Wenting
|
|
|
231 |
C |
p.
|
artikel
|
| 25 |
Efficient ab initio stacking fault energy mapping for dilute interstitial alloys
|
Niessen, Frank
|
|
|
231 |
C |
p.
|
artikel
|
| 26 |
Electrical-thermal-mechanical coupled modeling and simulation on deformation behaviors of Ti6554 alloy in electrically-assisted micro-tension
|
Chuan, Wu
|
|
|
231 |
C |
p.
|
artikel
|
| 27 |
Electrons trapped in graphene magnetic quantum dots with mass term
|
El Azar, Mohammed
|
|
|
231 |
C |
p.
|
artikel
|
| 28 |
Enhanced storage capacity of hydrogen based on Li-decorated 2D BC6N under ambient conditions: First-principles study
|
Kalwar, Basheer Ahmed
|
|
|
231 |
C |
p.
|
artikel
|
| 29 |
Exploring solute-defect interactions in nanosized palladium hydrides across multiple time scales
|
Sun, Xingsheng
|
|
|
231 |
C |
p.
|
artikel
|
| 30 |
Exploring the electronic properties and oxygen vacancy formation in SrTiO3 under strain
|
Lan, Zhenyun
|
|
|
231 |
C |
p.
|
artikel
|
| 31 |
First-principles calculations of co-segregation behavior of transition metal solutes and hydrogen along aluminum grain boundaries
|
Long, Man
|
|
|
231 |
C |
p.
|
artikel
|
| 32 |
First-principles calculations of transport properties in lead-based nanomaterials: A mini review
|
Zhang, Lishu
|
|
|
231 |
C |
p.
|
artikel
|
| 33 |
GRAF: Gap region aware framework for Al-Si alloy microscopic image segmentation
|
Liu, Yingli
|
|
|
231 |
C |
p.
|
artikel
|
| 34 |
Influence of surface energy anisotropy on nucleation and crystallographic texture of polycrystalline deposits
|
Minar, Martin
|
|
|
231 |
C |
p.
|
artikel
|
| 35 |
Insights on the capabilities and improvement ability of classical many-body potentials: Application to α -zirconium
|
Del Masto, Alessandra
|
|
|
231 |
C |
p.
|
artikel
|
| 36 |
Intelligent prediction model of mechanical properties of ultrathin niobium strips based on XGBoost ensemble learning algorithm
|
Wang, Zhen Hua
|
|
|
231 |
C |
p.
|
artikel
|
| 37 |
Interface Response Functions for multicomponent alloy solidification—An application to additive manufacturing
|
Hariharan, V.S.
|
|
|
231 |
C |
p.
|
artikel
|
| 38 |
Linking stability with molecular geometries of perovskites and lanthanide richness using machine learning methods
|
Bhattacharya, Sampreeti
|
|
|
231 |
C |
p.
|
artikel
|
| 39 |
Long-range Tersoff potential for silicon to reproduce 30° partial dislocation migration
|
Hirano, Atsuo
|
|
|
231 |
C |
p.
|
artikel
|
| 40 |
Machine learning advent and derivative discontinuity of DFT functionals over gap state predictions among ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors
|
Vignesh, D.
|
|
|
231 |
C |
p.
|
artikel
|
| 41 |
Machine learning assisted design of novel refractory high entropy alloys with enhanced mechanical properties
|
Catal, A.A.
|
|
|
231 |
C |
p.
|
artikel
|
| 42 |
Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra
|
Kireeva, Natalia
|
|
|
231 |
C |
p.
|
artikel
|
| 43 |
Machine learning models for the discovery of direct band gap materials for light emission and photovoltaics
|
Dinic, Filip
|
|
|
231 |
C |
p.
|
artikel
|
| 44 |
Modelling the influence of plasticity induced softening on the low cycle fatigue and crack propagation behaviour of a nickel-based superalloy
|
Engel, B.
|
|
|
231 |
C |
p.
|
artikel
|
| 45 |
Molecular simulation on the rheological properties of phenolic resins during crosslinking
|
Qiao, Yu
|
|
|
231 |
C |
p.
|
artikel
|
| 46 |
Morphology prediction of elastically interacting Zr hydride precipitates and cracks in α -Zr using atomistically informed Eshelby’s ellipsoidal inclusion
|
Ishii, Akio
|
|
|
231 |
C |
p.
|
artikel
|
| 47 |
MoSi2N4/WO2 van der Waals heterostructure: Theoretical prediction of an effective strategy to boost MoSi2N4′s nanoelectronic and optoelectronic applications
|
Yang, Guanke
|
|
|
231 |
C |
p.
|
artikel
|
| 48 |
Neighbors Map: An efficient atomic descriptor for structural analysis
|
Allera, Arnaud
|
|
|
231 |
C |
p.
|
artikel
|
| 49 |
Numerical analysis of unidirectional carbon-fibre/epoxy composite laminates under low velocity impacts of different forms
|
Zhao, Yuting
|
|
|
231 |
C |
p.
|
artikel
|
| 50 |
On the construction of an efficient finite-element solver for phase-field simulations of many-particle solid-state-sintering processes
|
Munch, Peter
|
|
|
231 |
C |
p.
|
artikel
|
| 51 |
Optimization of RF to alloy elastic modulus prediction based on cuckoo algorithm
|
Zhu, Chang-sheng
|
|
|
231 |
C |
p.
|
artikel
|
| 52 |
Orientation effect on α/β phase interface mediated deformation mechanism in titanium alloy
|
Wan, Panpan
|
|
|
231 |
C |
p.
|
artikel
|
| 53 |
Phase field study of heat treatment and strengthening in maraging steels
|
Ahluwalia, Rajeev
|
|
|
231 |
C |
p.
|
artikel
|
| 54 |
Physics-informed machine learning prediction of the martensitic transformation temperature for the design of “NiTi-like” high entropy shape memory alloys
|
Thiercelin, Léo
|
|
|
231 |
C |
p.
|
artikel
|
| 55 |
Predicting residual stresses in SLM additive manufacturing using a phase-field thermomechanical modeling framework
|
Ali, Baharin
|
|
|
231 |
C |
p.
|
artikel
|
| 56 |
Prediction of carbon nanotubes reinforced interphase properties in fuzzy fibre reinforced polymer via inverse analysis and optimisation
|
Pawlik, Marzena
|
|
|
231 |
C |
p.
|
artikel
|
| 57 |
Predictive microstructure distribution and printability maps in laser powder bed fusion for a Ni–Cu alloy
|
Huang, Xueqin
|
|
|
231 |
C |
p.
|
artikel
|
| 58 |
Pressure modulated charge transfer and phonon interactions drive phase transitions in uranium–aluminum laves phases
|
Fuhr, Addis S.
|
|
|
231 |
C |
p.
|
artikel
|
| 59 |
Reinforcement learning strategy for control of microstructure evolution in phase field models
|
Yang, Haiying
|
|
|
231 |
C |
p.
|
artikel
|
| 60 |
Second nearest neighbor modified embedded atom method interatomic potentials for T i C x N 1 − x ternary systems
|
Araya-Barr, A.
|
|
|
231 |
C |
p.
|
artikel
|
| 61 |
Spherical cluster method for ground state determination of site-disordered materials: Application to AgxBiyIx+3y
|
Barone, Victor T.
|
|
|
231 |
C |
p.
|
artikel
|
| 62 |
Stabilities of substitutional solutes in α-iron under uniaxial strain
|
Li, Wenliang
|
|
|
231 |
C |
p.
|
artikel
|
| 63 |
Stability of lithium boron carbides with defective chains and a new phase from strain-induced phase transition
|
Kutay, Kubra
|
|
|
231 |
C |
p.
|
artikel
|
| 64 |
Temperature dependence of generalized stacking fault free energy profiles and dissociation mechanisms of slip systems in Mg
|
Namakian, Reza
|
|
|
231 |
C |
p.
|
artikel
|
| 65 |
Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations
|
Xie, Lu
|
|
|
231 |
C |
p.
|
artikel
|
| 66 |
The coupled effects of grain boundary strengthening and Orowan strengthening examined by dislocation dynamics simulations
|
Jiang, Maoyuan
|
|
|
231 |
C |
p.
|
artikel
|
| 67 |
Two-dimensional antiferromagnetic type-II Weyl fermions in monolayer ZnSb and type-I Weyl fermions and topological insulator in bilayer ZnSb
|
Guo, Zhenzhou
|
|
|
231 |
C |
p.
|
artikel
|
| 68 |
Two-dimensional ferroelectric heterostructures for overall water-splitting from DFT aspects
|
Bo, Tingting
|
|
|
231 |
C |
p.
|
artikel
|
| 69 |
Understanding structure-processing relationships in metal additive manufacturing via featurization of microstructural images
|
Sanpui, Dipayan
|
|
|
231 |
C |
p.
|
artikel
|
| 70 |
Unraveling the dynamics of stacking fault nucleation in ceramics: A case study of aluminum nitride
|
Hu, Yixuan
|
|
|
231 |
C |
p.
|
artikel
|
| 71 |
Utilizing soft labels of Convolutional Neural networks for predicting quantum transmission probability: An application to high-dimensional data prediction
|
Cha, Moon-Hyun
|
|
|
231 |
C |
p.
|
artikel
|
| 72 |
Weakness of ionic bonds and solid decomposition in calcium phosphides under high pressure
|
Zhang, Zhaobin
|
|
|
231 |
C |
p.
|
artikel
|
| 73 |
Weighted average effective band structure of disordered solids
|
Abdollahi, Arash
|
|
|
231 |
C |
p.
|
artikel
|
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