| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Buckingham interatomic potential for thallium oxide ( Tl 2 O ): Application to the case of thallium tellurite glasses
|
Raghvender, Raghvender
|
|
|
201 |
C |
p.
|
artikel
|
| 2 |
Accurate prediction of band gap of materials using stacking machine learning model
|
Wang, Teng
|
|
|
201 |
C |
p.
|
artikel
|
| 3 |
A DFT study of GaSe/AlN(ZnO) two-dimensional vdW heterostructure practiced as an encouraging photocatalyst for water splitting
|
Lazaar, Koussai
|
|
|
201 |
C |
p.
|
artikel
|
| 4 |
A novel approach for studying crack propagation in polycrystalline graphene using machine learning algorithms
|
Elapolu, Mohan S.R.
|
|
|
201 |
C |
p.
|
artikel
|
| 5 |
A reverse design model for high-performance and low-cost magnesium alloys by machine learning
|
Mi, Xiaoxi
|
|
|
201 |
C |
p.
|
artikel
|
| 6 |
Constitutive behavior predictions of mushy zone during solidification by phase field model and coupled Eulerian–Lagrangian method
|
Li, Longfei
|
|
|
201 |
C |
p.
|
artikel
|
| 7 |
Corrigendum to “Finite element analysis of tensile testing with emphasis on necking” [Comput. Mater. Sci. 41 (2007) 63–69]
|
Joun, Mansoo
|
|
|
201 |
C |
p.
|
artikel
|
| 8 |
Deep learning for mapping element distribution of high-entropy alloys in scanning transmission electron microscopy images
|
Ragone, Marco
|
|
|
201 |
C |
p.
|
artikel
|
| 9 |
Defect-mediated crystal growth from deeply undercooled melts
|
Yan, Zhenzhen
|
|
|
201 |
C |
p.
|
artikel
|
| 10 |
Development of a 2NN-MEAM potential for Ti B system and studies of the temperature dependence of the nanohardness of TiB 2
|
Attarian, Siamak
|
|
|
201 |
C |
p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
|
201 |
C |
p.
|
artikel
|
| 12 |
Efficiency in identification of internal structure in simulated monoatomic clusters: Comparison between common neighbor analysis and coordination polyhedron method
|
Polak, Wiesław Z.
|
|
|
201 |
C |
p.
|
artikel
|
| 13 |
Electronic properties of boron-rich graphene nanowiggles
|
Miranda, Dayvid de Sousa
|
|
|
201 |
C |
p.
|
artikel
|
| 14 |
Fracture and strength of single-atom-thick hexagonal materials
|
Le, Minh-Quy
|
|
|
201 |
C |
p.
|
artikel
|
| 15 |
Full spectrum optical constant interface to the Materials Project
|
Kas, J.J.
|
|
|
201 |
C |
p.
|
artikel
|
| 16 |
High-order one-dimensional (1D) fermion in ferromagnetic RbFeF3
|
Meng, Weizhen
|
|
|
201 |
C |
p.
|
artikel
|
| 17 |
Hydrostatic pressure-tuning of thermoelectric properties of CsSnI3 perovskite by first-principles calculations
|
Wudil, Y.S.
|
|
|
201 |
C |
p.
|
artikel
|
| 18 |
Interactions of oxygen with intrinsic defects in L1 0 γ -TiAl in presence of substitutional solutes: Influence on diffusion kinetics
|
Thenot, Camille
|
|
|
201 |
C |
p.
|
artikel
|
| 19 |
Interphase effects on elastic properties of polymer nanocomposites reinforced by carbon nanocones
|
Taheri, Seyed Saeid
|
|
|
201 |
C |
p.
|
artikel
|
| 20 |
Intrinsic disorder of dangling OH-bonds in the first water layer on noble metal surfaces
|
Zhao, Di
|
|
|
201 |
C |
p.
|
artikel
|
| 21 |
Ir nanocluster shape effects on melting, surface energy and scaling behavior of self-diffusion coefficient near melting temperature
|
Taherkhani, Farid
|
|
|
201 |
C |
p.
|
artikel
|
| 22 |
Leaching model of radionuclides in metal-organic framework particles
|
Li, Yulan
|
|
|
201 |
C |
p.
|
artikel
|
| 23 |
Li-diffusion pathways in Zr 2 CO 2 and Zr 2 CS 2 MXenes using the Bond Valence Sum model
|
Papadopoulou, Konstantina A.
|
|
|
201 |
C |
p.
|
artikel
|
| 24 |
Low lattice thermal conductivity and its role in the remarkable thermoelectric performance of newly predicted SiS2 and SiSe2 monolayers
|
Bera, Jayanta
|
|
|
201 |
C |
p.
|
artikel
|
| 25 |
Machine learning and materials informatics approaches in the analysis of physical properties of carbon nanotubes: A review
|
Vivanco-Benavides, Luis Enrique
|
|
|
201 |
C |
p.
|
artikel
|
| 26 |
Machine learning predictions of superalloy microstructure
|
Taylor, Patrick L.
|
|
|
201 |
C |
p.
|
artikel
|
| 27 |
Modified embedded-atom method interatomic potentials for Al-Cu, Al-Fe and Al-Ni binary alloys: From room temperature to melting point
|
Mahata, Avik
|
|
|
201 |
C |
p.
|
artikel
|
| 28 |
Molecular dynamic characteristic temperatures for predicting metallic glass forming ability
|
Schultz, Lane E.
|
|
|
201 |
C |
p.
|
artikel
|
| 29 |
Molecular dynamics and DFT study of 38-atom coinage metal clusters
|
Sanders-Gutierrez, Oscar Alan
|
|
|
201 |
C |
p.
|
artikel
|
| 30 |
Molecular modeling of methacrylic composite materials doped with nonlinear optical azochromophores with various acceptor fragments
|
Fominykh, O.D.
|
|
|
201 |
C |
p.
|
artikel
|
| 31 |
Multiscale Concurrent Atomistic-Continuum (CAC) modeling of multicomponent alloys
|
Chu, Kevin
|
|
|
201 |
C |
p.
|
artikel
|
| 32 |
Negative Poisson’s ratio from pentagons: A new auxetic structure combining three different auxetic mechanisms
|
Winczewski, Szymon
|
|
|
201 |
C |
p.
|
artikel
|
| 33 |
On the formation of { 11 2 ̄ 2 } boundary via { 10 1 ̄ 2 } - { 01 1 ̄ 2 } twin–twin interaction in magnesium
|
Zahiri, Amir Hassan
|
|
|
201 |
C |
p.
|
artikel
|
| 34 |
Phase stability and mechanical properties of carbide solid solutions with 2–5 principal metals
|
Vorotilo, Stepan
|
|
|
201 |
C |
p.
|
artikel
|
| 35 |
Reactive molecular dynamics simulations of nickel-based heterometallic catalysts for hydrogen evolution in an alkaline KOH solution
|
Oyinbo, Sunday Temitope
|
|
|
201 |
C |
p.
|
artikel
|
| 36 |
Roughness evolution of constrained surface based on crystal plasticity finite element model and coupled Eulerian-Lagrangian method
|
Liu, Chengshang
|
|
|
201 |
C |
p.
|
artikel
|
| 37 |
Shear stress relaxation through the motion of edge dislocations in Cu and Cu–Ni solid solution: A molecular dynamics and discrete dislocation study
|
Bryukhanov, I.A.
|
|
|
201 |
C |
p.
|
artikel
|
| 38 |
Shock-induced spallation in single-crystalline tantalum at elevated temperatures through molecular dynamics modeling
|
Wang, Yuntian
|
|
|
201 |
C |
p.
|
artikel
|
| 39 |
Simultaneous optimization of thermal and electrical conductivity of high density polyethylene-carbon particle composites by artificial neural networks and multi-objective genetic algorithm
|
García-Carrillo, Miguel
|
|
|
201 |
C |
p.
|
artikel
|
| 40 |
Structural stability of titanate pyrochlores undergoing radiation damage
|
Dholakia, Manan
|
|
|
201 |
C |
p.
|
artikel
|
| 41 |
Superior gas sensing properties of β -In 2 Se 3 : A first-principles investigation
|
Bolarinwa, Sherifdeen O.
|
|
|
201 |
C |
p.
|
artikel
|
| 42 |
Supervised deep learning prediction of the formation enthalpy of complex phases using a DFT database: The σ − phase as an example
|
Crivello, Jean-Claude
|
|
|
201 |
C |
p.
|
artikel
|
| 43 |
The behaviour of Boron Carbide under shock compression conditions: MD simulation results
|
Çekil, Hüseyin C.
|
|
|
201 |
C |
p.
|
artikel
|
| 44 |
Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fracture
|
Garcia-Cardona, Cristina
|
|
|
201 |
C |
p.
|
artikel
|
| 45 |
Unsupervised segmentation of microstructural images of steel using data mining methods
|
Kim, Hoheok
|
|
|
201 |
C |
p.
|
artikel
|
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