| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerated discovery of single-phase refractory high entropy alloys assisted by machine learning
|
Yan, Yonggang
|
|
|
199 |
C |
p.
|
artikel
|
| 2 |
A coarse-grained – Atomistic multi-scale method to study the mechanical behavior of heterogeneous FCC nano-materials
|
Madadi, A.A.
|
|
|
199 |
C |
p.
|
artikel
|
| 3 |
A crystal symmetry-invariant Kobayashi–Warren–Carter grain boundary model and its implementation using a thresholding algorithm
|
Kim, Jaekwang
|
|
|
199 |
C |
p.
|
artikel
|
| 4 |
Adsorption and spin polarization of pyridine on Fe/W(110) interface: A DFT study
|
Nharangatt, Bijoy
|
|
|
199 |
C |
p.
|
artikel
|
| 5 |
A molecular dynamics study of domain switching in BiFeO3 nanofilm under DC electric field
|
Nobarani, Hamed
|
|
|
199 |
C |
p.
|
artikel
|
| 6 |
An efficient computational framework for charge density estimation in twisted bilayer graphene
|
Rakib, Tawfiqur
|
|
|
199 |
C |
p.
|
artikel
|
| 7 |
An efficient optimization based microstructure reconstruction approach with multiple loss functions
|
Bhaduri, Anindya
|
|
|
199 |
C |
p.
|
artikel
|
| 8 |
Application of the convolutional neural network for recognition of the metal alloys microstructure constituents based on their morphological characteristics
|
Warmuzek, Małgorzata
|
|
|
199 |
C |
p.
|
artikel
|
| 9 |
A review of computational studies of bottlebrush polymers
|
Mohammadi, Esmat
|
|
|
199 |
C |
p.
|
artikel
|
| 10 |
Atomic Simulation Recipes: A Python framework and library for automated workflows
|
Gjerding, Morten
|
|
|
199 |
C |
p.
|
artikel
|
| 11 |
Atomistic simulation of microstructure evolution of NiTi single crystals in bending deformation
|
Liu, Shan
|
|
|
199 |
C |
p.
|
artikel
|
| 12 |
Cold and hot uranium in DFT calculations: Investigation by the GTH pseudopotential, PAW, and APW + lo methods
|
Migdal, K.
|
|
|
199 |
C |
p.
|
artikel
|
| 13 |
Computational study of the geometric properties governing the linear mechanical behavior of fiber networks
|
Davoodi Kermani, Iman
|
|
|
199 |
C |
p.
|
artikel
|
| 14 |
Crystal plasticity phase-field simulation of creep property of Co-base single crystal superalloy with pre-rafting
|
Wang, Dong
|
|
|
199 |
C |
p.
|
artikel
|
| 15 |
Deep-freeze graph training for latent learning
|
Romanov, Vyacheslav N.
|
|
|
199 |
C |
p.
|
artikel
|
| 16 |
Design and modulation of two-dimensional Dirac materials in beryllium/boron-based binary monolayers
|
Chen, Jiao
|
|
|
199 |
C |
p.
|
artikel
|
| 17 |
Editorial Board
|
|
|
|
199 |
C |
p.
|
artikel
|
| 18 |
First-Principles investigation of Pressure-Induced structural transformations of barium borates in the BaO-B2O3-BaF2 system in the range of 0–10 GPa
|
Sagatov, Nursultan E.
|
|
|
199 |
C |
p.
|
artikel
|
| 19 |
Impact of adsorbent carbons and carbon surface conductivity on adsorption capacity of CO2, CH4, N2 and gas separation
|
El Oufir, Zineb
|
|
|
199 |
C |
p.
|
artikel
|
| 20 |
Incorporating elasticity into CALPHAD-informed density-based grain boundary phase diagrams reveals segregation transition in Al-Cu and Al-Cu-Mg alloys
|
Wang, Lei
|
|
|
199 |
C |
p.
|
artikel
|
| 21 |
Influence of magnetic excitation and vibrational entropy on the phase diagram of Fe1−xCrx alloys
|
Trochet, Mickaël
|
|
|
199 |
C |
p.
|
artikel
|
| 22 |
Insight into the roles of the glassy phase in glass-ceramics during the cascade collisions
|
Zhang, Shuohua
|
|
|
199 |
C |
p.
|
artikel
|
| 23 |
Investigation on phase structure and magnetic properties of high-temperature Ni-Pt-Co-Mn-Sn magnetic shape memory alloys by first-principles calculations
|
Han, Binglun
|
|
|
199 |
C |
p.
|
artikel
|
| 24 |
Linking a phase field model for polymer crystallization to full-field micromechanical simulations of semi-crystalline polymers
|
Bahloul, Amine
|
|
|
199 |
C |
p.
|
artikel
|
| 25 |
Microscopic stresses of discontinuous carbon fiber reinforced thermoplastics under thermal loading: two-fiber interactions
|
Chen, Changhao
|
|
|
199 |
C |
p.
|
artikel
|
| 26 |
Modeling the heterogeneity response induced by the cascade collisions of glass-ceramics
|
Zhang, Shuohua
|
|
|
199 |
C |
p.
|
artikel
|
| 27 |
Molecular dynamics study of melting, diffusion, and sintering of cementite chromia core–shell particles
|
Gao, Yawei
|
|
|
199 |
C |
p.
|
artikel
|
| 28 |
Molecular dynamics study of the mechanical properties of reinforced silicon structure with iron nanoparticles
|
zhang, Yang
|
|
|
199 |
C |
p.
|
artikel
|
| 29 |
Molecular dynamics study on tribological properties of EUG/NR composites
|
Wu, Jian
|
|
|
199 |
C |
p.
|
artikel
|
| 30 |
Molecular simulation-derived features for machine learning predictions of metal glass forming ability
|
Afflerbach, Benjamin T.
|
|
|
199 |
C |
p.
|
artikel
|
| 31 |
Monte Carlo modelling of recrystallization in alpha Zirconium
|
Jedrychowski, Mariusz
|
|
|
199 |
C |
p.
|
artikel
|
| 32 |
Multi defect detection and analysis of electron microscopy images with deep learning
|
Shen, Mingren
|
|
|
199 |
C |
p.
|
artikel
|
| 33 |
Multiphysics approaches for modeling nanostructural evolution during physical vapor deposition of phase-separating alloy films
|
Raghavan, Rahul
|
|
|
199 |
C |
p.
|
artikel
|
| 34 |
On the phase-field modeling of rapid solidification
|
Gu, Yijia
|
|
|
199 |
C |
p.
|
artikel
|
| 35 |
On the problem of stability/instability of bimetallic core-shell nanostructures: Molecular dynamics and thermodynamic simulations
|
Samsonov, V.M.
|
|
|
199 |
C |
p.
|
artikel
|
| 36 |
Phase equilibrium within the composites of the cadmium sulfide nanoparticles and a silicate glass: An atomistic view
|
Popov, Ilya S.
|
|
|
199 |
C |
p.
|
artikel
|
| 37 |
Prediction of the Curie temperatures of ferroelectric solid solutions using machine learning methods
|
Askanazi, Evan M.
|
|
|
199 |
C |
p.
|
artikel
|
| 38 |
Rapid screening of high-entropy alloys using neural networks and constituent elements
|
Nassar, A.E.
|
|
|
199 |
C |
p.
|
artikel
|
| 39 |
Studies on the regularity of perovskite formation via machine learning
|
Li, Long
|
|
|
199 |
C |
p.
|
artikel
|
| 40 |
The formation mechanisms of amorphous bands of boron carbide nanopillars under uniaxial compressions and their effects on mechanical properties from molecular dynamics simulation
|
Li, Xianming
|
|
|
199 |
C |
p.
|
artikel
|
| 41 |
The influence of defects on the elastic response of lattice structures resulting from additive manufacturing
|
Jiang, Panwei
|
|
|
199 |
C |
p.
|
artikel
|
| 42 |
Thermal expansion of graphite revisited
|
Zorzi, Janete E.
|
|
|
199 |
C |
p.
|
artikel
|
| 43 |
Three-dimensional large-scale grain growth simulation using a cellular automaton model
|
Ogawa, Jota
|
|
|
199 |
C |
p.
|
artikel
|
| 44 |
Unraveling surface functionalization of Cr2B2 T 2 (T = OH, O, Cl, H) MBene by first-principles calculations
|
Hu, Tao
|
|
|
199 |
C |
p.
|
artikel
|
| 45 |
Unveiling nucleation dynamics by seeded and spontaneous crystallization in supercooled liquids
|
Separdar, Leila
|
|
|
199 |
C |
p.
|
artikel
|
| 46 |
Vacancy-cluster and off-lattice metal-atom diffusion mechanisms in transition metal carbides
|
Salehin, Rofiques
|
|
|
199 |
C |
p.
|
artikel
|
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