| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comprehensive modeling approach for determining the role and nature of interfacial morphology in mixed matrix membranes
|
Zarabadipoor, Mohammadmahdi
|
|
|
197 |
C |
p.
|
artikel
|
| 2 |
A crystal plasticity model with an atomistically informed description of grain boundary sliding for improved predictions of deformation fields
|
Venkataraman, Ajey
|
|
|
197 |
C |
p.
|
artikel
|
| 3 |
A deep learning based automatic defect analysis framework for In-situ TEM ion irradiations
|
Shen, Mingren
|
|
|
197 |
C |
p.
|
artikel
|
| 4 |
A first principles approach to the interactions of alkali metal atoms with carbon quantum dots
|
Politi, J.R.S.
|
|
|
197 |
C |
p.
|
artikel
|
| 5 |
Algorithmically extracted morphology descriptions for predicting device performance
|
Tatum, Wesley K.
|
|
|
197 |
C |
p.
|
artikel
|
| 6 |
A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates
|
Kulkarni, Shank S.
|
|
|
197 |
C |
p.
|
artikel
|
| 7 |
A modified simulated annealing algorithm for hybrid statistical reconstruction of heterogeneous microstructures
|
Haghverdi, Ali
|
|
|
197 |
C |
p.
|
artikel
|
| 8 |
An atomistic view on Oxygen, antisites and vacancies in the γ -TiAl phase
|
Razumovskiy, Vsevolod I.
|
|
|
197 |
C |
p.
|
artikel
|
| 9 |
An automated approach for developing neural network interatomic potentials with FLAME
|
Mirhosseini, Hossein
|
|
|
197 |
C |
p.
|
artikel
|
| 10 |
An efficient implementation for the solution of auxiliary composition fields in multicomponent phase field models
|
Joshi, Kartikey
|
|
|
197 |
C |
p.
|
artikel
|
| 11 |
A new interatomic potential describing Fe-H and H-H interactions in bcc iron
|
Wen, Mao
|
|
|
197 |
C |
p.
|
artikel
|
| 12 |
A supervised machine learning approach for accelerating the design of particulate composites: Application to thermal conductivity
|
Hashemi, Mohammad Saber
|
|
|
197 |
C |
p.
|
artikel
|
| 13 |
A surface-mesh gradation tool for generating gradated tetrahedral meshes of microstructures with defects
|
Phung, Brian R.
|
|
|
197 |
C |
p.
|
artikel
|
| 14 |
Atomic simulation of interaction mechanism between dislocation and graphene in graphene/aluminum composites
|
Han, R.Q.
|
|
|
197 |
C |
p.
|
artikel
|
| 15 |
Atomistic and continuum modeling of 3D graphene honeycombs under uniaxial in-plane compression
|
Chen, Yiqing
|
|
|
197 |
C |
p.
|
artikel
|
| 16 |
Atomistic study of shock Hugoniot in columnar nanocrystalline copper
|
Hu, Jianqiao
|
|
|
197 |
C |
p.
|
artikel
|
| 17 |
Atomistic study of the structure and deformation behavior of symmetric tilt grain boundaries in α -zirconium
|
Torres, Edmanuel
|
|
|
197 |
C |
p.
|
artikel
|
| 18 |
Atomistic-to-meso multi-scale data-driven graph surrogate modeling of dislocation glide
|
Barros de Moraes, Eduardo A.
|
|
|
197 |
C |
p.
|
artikel
|
| 19 |
A tool to predict the evolution of phase and Young’s modulus in high entropy alloys using artificial neural network
|
Chanda, Barnasree
|
|
|
197 |
C |
p.
|
artikel
|
| 20 |
A universal framework for metropolis Monte Carlo simulation of magnetic Curie temperature
|
Zhang, Yehui
|
|
|
197 |
C |
p.
|
artikel
|
| 21 |
Automated approach to discover coherent precipitates in multi-component shape memory alloys
|
Tripathi, Shivam
|
|
|
197 |
C |
p.
|
artikel
|
| 22 |
Compositional effects on stacking fault energies in Ni-based alloys using first-principles and atomistic simulations
|
Xu, Liubin
|
|
|
197 |
C |
p.
|
artikel
|
| 23 |
Contact strength and deformation of straining free-standing borophene
|
Tran, Thi-Bao-Tien
|
|
|
197 |
C |
p.
|
artikel
|
| 24 |
Coupled resonance via localized surface plasmon polaritons in Iridium-based refractory metamaterials
|
Oh, Minsu
|
|
|
197 |
C |
p.
|
artikel
|
| 25 |
Crystal stabilities and electronic properties of thorium silicide under ambient conditions and high pressures from a first-principles study
|
Qiu, Qian
|
|
|
197 |
C |
p.
|
artikel
|
| 26 |
Density functional theory studies of transition metal doped Ti3N2 MXene monolayer
|
Onyia, Ijeoma Cynthia
|
|
|
197 |
C |
p.
|
artikel
|
| 27 |
Description of grain boundary structure and topology in nanocrystalline aluminum using Voronoi analysis and order parameter
|
Żydek, Arkadiusz
|
|
|
197 |
C |
p.
|
artikel
|
| 28 |
Development of a reactive force field for CaCl 2 · n H 2 O , and the application to thermochemical energy storage
|
Heijmans, Koen
|
|
|
197 |
C |
p.
|
artikel
|
| 29 |
3D percolation modeling for predicting the thermal conductivity of graphene-polymer composites
|
Aryanfar, Asghar
|
|
|
197 |
C |
p.
|
artikel
|
| 30 |
Dynamics of pull and release of graphene nanoribbons
|
Singh, Amit
|
|
|
197 |
C |
p.
|
artikel
|
| 31 |
EAPOTs: An integrated empirical interatomic potential optimization platform for single elemental solids
|
Yao, B.N.
|
|
|
197 |
C |
p.
|
artikel
|
| 32 |
Editorial Board
|
|
|
|
197 |
C |
p.
|
artikel
|
| 33 |
Effect of chemical and hydrostatic pressures on the structural and mechanical properties of orthorhombic rare-earth RNiO 3
|
Otsuka, A.M.
|
|
|
197 |
C |
p.
|
artikel
|
| 34 |
Effect of oxygen partial pressure on the stability of Ce0.8Zr0.2O2-δ solid solution using genetic algorithm and lattice statics
|
Choi, In-Gyu
|
|
|
197 |
C |
p.
|
artikel
|
| 35 |
Effect of pore shape and porosity on the elastic and fracture properties of nanoporous Mg and Mg17Al12
|
Zhu, Wenjie
|
|
|
197 |
C |
p.
|
artikel
|
| 36 |
Effect of temperature on the growth of TiN thin films by oblique angle sputter-deposition: A three-dimensional atomistic computational study
|
Mareus, Rubenson
|
|
|
197 |
C |
p.
|
artikel
|
| 37 |
Effects of cleavage plane and material strength on fracture of polycrystalline brittle materials: A phase-field modeling study
|
Lotfolahpour, Amirreza
|
|
|
197 |
C |
p.
|
artikel
|
| 38 |
Electromechanical field effects in InAs/GaAs quantum dots based on continuum k → · p → and atomistic tight-binding methods
|
Barettin, Daniele
|
|
|
197 |
C |
p.
|
artikel
|
| 39 |
Electronic property trends of single-component organic molecular crystals containing C, N, O, and H
|
Monaco, Steven
|
|
|
197 |
C |
p.
|
artikel
|
| 40 |
Electronic transport through odd-even methylenic spacers connected to an aromatic ring
|
Moreira, A.C.L.
|
|
|
197 |
C |
p.
|
artikel
|
| 41 |
Erratum to “Study on Ni-Ti alloys around equiatomic composition by the first-principles phase field method” [Comput. Mater. Sci. 191 (2021) 110284]
|
Ohno, Kaoru
|
|
|
197 |
C |
p.
|
artikel
|
| 42 |
Flux growth synthesis, single crystal and electronic structure of the new intermetallic compound Pt2Ga17Ta3
|
Tillard, Monique
|
|
|
197 |
C |
p.
|
artikel
|
| 43 |
Harnessing deep learning for physics-informed prediction of composite strength with microstructural uncertainties
|
Zhou, Kai
|
|
|
197 |
C |
p.
|
artikel
|
| 44 |
High harmonic studies of structural phase transitions in silicon
|
Qin, Rui
|
|
|
197 |
C |
p.
|
artikel
|
| 45 |
High-throughput computational screening of cathode materials for Li-O2 battery
|
Boev, A.O.
|
|
|
197 |
C |
p.
|
artikel
|
| 46 |
How to take into account local concentration in Ising-based Monte-Carlo: illustration with zirconium hydrides
|
Eyméoud, Paul
|
|
|
197 |
C |
p.
|
artikel
|
| 47 |
Impact of three-body interactions in a ReaxFF force field for Ni and Cr transition metals and their alloys on the prediction of thermal and mechanical properties
|
Shin, Yun Kyung
|
|
|
197 |
C |
p.
|
artikel
|
| 48 |
Influence of hydrogen isotopes on vacancy formation and antisite defect diffusion in palladium and vanadium metals
|
Setyawan, Wahyu
|
|
|
197 |
C |
p.
|
artikel
|
| 49 |
Inpainting micro-CT images of fibrous materials using deep learning
|
Karamov, Radmir
|
|
|
197 |
C |
p.
|
artikel
|
| 50 |
Interaction between Al and other alloying atoms in α-Ti for designing high temperature titanium alloy
|
Cao, Shuo
|
|
|
197 |
C |
p.
|
artikel
|
| 51 |
Investigation of surface wettability and their influencing mechanisms under vibration field: A molecular dynamics simulation study
|
Wang, Pengyu
|
|
|
197 |
C |
p.
|
artikel
|
| 52 |
Kinetic Monte Carlo method for epitaxial 3C-SiC (0001) growth on vicinal surfaces
|
Li, Yuan
|
|
|
197 |
C |
p.
|
artikel
|
| 53 |
Large helium-vacancy clusters coalescence during helium bubble evolution under cascade in iron with edge dislocation: A MD simulation
|
Li, Liuliu
|
|
|
197 |
C |
p.
|
artikel
|
| 54 |
Learning phase selection and assemblages in High-Entropy Alloys through a stochastic ensemble-averaging model
|
Beniwal, D.
|
|
|
197 |
C |
p.
|
artikel
|
| 55 |
Machine learning-enabled identification of new medium to high entropy alloys with solid solution phases
|
Jaiswal, Ujjawal Kumar
|
|
|
197 |
C |
p.
|
artikel
|
| 56 |
Machine learning in thermoelectric materials identification: Feature selection and analysis
|
Xu, Yijing
|
|
|
197 |
C |
p.
|
artikel
|
| 57 |
Magnetic and thermodynamic properties of monolayer graphdiyne-like
|
Si, Nan
|
|
|
197 |
C |
p.
|
artikel
|
| 58 |
Mass specific performance of potassium tetrabromoaurate as a carbon nanotube dopant
|
Chin, Khai Yi
|
|
|
197 |
C |
p.
|
artikel
|
| 59 |
Modeling twin boundary structures in body centered cubic transition metals
|
Faisal, Anik H.M.
|
|
|
197 |
C |
p.
|
artikel
|
| 60 |
Molecular dynamics simulation of crystal structure and heat capacity in perovskite-type molybdates SrMoO3 and BaMoO3
|
Wang, Shuai
|
|
|
197 |
C |
p.
|
artikel
|
| 61 |
Molecular dynamics simulations on the dislocation interactions in magnesium
|
Li, Zikun
|
|
|
197 |
C |
p.
|
artikel
|
| 62 |
Monolayer SnC as anode material for Na ion batteries
|
Khalid Butt, Mehwish
|
|
|
197 |
C |
p.
|
artikel
|
| 63 |
Multi-phase-field lattice Boltzmann model for polycrystalline equiaxed solidification with motion
|
Yamanaka, Namito
|
|
|
197 |
C |
p.
|
artikel
|
| 64 |
Nano tungsten carbide interactions and mechanical behaviour during sintering: A molecular dynamics study
|
Singh, Rohit
|
|
|
197 |
C |
p.
|
artikel
|
| 65 |
Optimized interatomic potential for atomistic simulation of Zr-Nb alloy
|
Starikov, S.
|
|
|
197 |
C |
p.
|
artikel
|
| 66 |
Phase-field modeling of interactions between double cracks on brittle fracture of Zircaloy-4 cladding
|
Zhao, Han
|
|
|
197 |
C |
p.
|
artikel
|
| 67 |
Predicting the glass formation of metallic glasses using machine learning approaches
|
Li, Zhuang
|
|
|
197 |
C |
p.
|
artikel
|
| 68 |
Probing the structural and electronic properties of neutral and anionic strontium-doped magnesium clusters
|
Li, Qing Yang
|
|
|
197 |
C |
p.
|
artikel
|
| 69 |
Role of twin boundary position on the yield strength of Cu nanopillars
|
Sainath, G.
|
|
|
197 |
C |
p.
|
artikel
|
| 70 |
Simulation study of collision cascade of NaI crystal
|
Huang, Meng
|
|
|
197 |
C |
p.
|
artikel
|
| 71 |
Statistical analysis of effective electro-mechanical properties and percolation behavior of aligned carbon nanotube/polymer nanocomposites via computational micromechanics
|
Talamadupula, Krishna Kiran
|
|
|
197 |
C |
p.
|
artikel
|
| 72 |
Structural, electronic and optical properties of C/P co-doped two-dimensional AlN by density functional theory calculation
|
Bi, Songhu
|
|
|
197 |
C |
p.
|
artikel
|
| 73 |
Study of the influence of shape, orientation, and size of AlN in the γ′-free zone of nickel-based superalloys by microstructure-based numerical models
|
Magdy, Mohamed
|
|
|
197 |
C |
p.
|
artikel
|
| 74 |
Temperature effect on irradiation damage in equiatomic multi-component alloys
|
Levo, Emil
|
|
|
197 |
C |
p.
|
artikel
|
| 75 |
Tensile strength and fracture mechanics of two-dimensional nanocrystalline silicon carbide
|
Haque Chowdhury, Emdadul
|
|
|
197 |
C |
p.
|
artikel
|
| 76 |
Tessellation-based stochastic modelling of 3D coating structures imaged with FIB-SEM tomography
|
Townsend, Philip
|
|
|
197 |
C |
p.
|
artikel
|
| 77 |
The effect of biaxial tensile strain on structure and photoelectric properties of Fe-doped GaN monolayer
|
Song, Juan
|
|
|
197 |
C |
p.
|
artikel
|
| 78 |
The strategy of repairing defective graphene by graphene patch via interlayer cross-linking
|
Zhao, Yifan
|
|
|
197 |
C |
p.
|
artikel
|
| 79 |
The utility of composition-based machine learning models for band gap prediction
|
Venkatraman, Vishwesh
|
|
|
197 |
C |
p.
|
artikel
|
| 80 |
Three-dimensional topological structures and formation processes of dislocations in Au nanowire under tension loading
|
Hou, Z.Y.
|
|
|
197 |
C |
p.
|
artikel
|
| 81 |
TiN inducing ferrite nucleation based on the bcc-Fe/TiN interfaces formation at atomic scale by first-principles calculation
|
Yuan, Xinghu
|
|
|
197 |
C |
p.
|
artikel
|
| 82 |
Towards advanced complex quantum materials for spin-related applications and photo-induced heterogeneous catalysis: The case of (Fe n )@g-CN1 (n = 2,3) and (Mn)@(g-CN1)2
|
Melchakova, Iu.
|
|
|
197 |
C |
p.
|
artikel
|
| 83 |
Unveiling the Ag-Bi miscibility at the atomic level: A theoretical insight
|
Añez, Rafael
|
|
|
197 |
C |
p.
|
artikel
|
| 84 |
Wave dispersion and quantitative accuracy analysis of bond-based peridynamic models with different attenuation functions
|
Li, Shuang
|
|
|
197 |
C |
p.
|
artikel
|
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