| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio calculations on the interaction between OH− and Fe2Mo Laves phase
|
Ren, Lu
|
|
|
228 |
C |
p.
|
artikel
|
| 2 |
Ab initio prediction of coexistence of two magnetic states in Mn 2 Y Sn ( Y = Sc, Ti, and V) Heusler alloys under applied pressure
|
Sokolovskiy, Vladimir
|
|
|
228 |
C |
p.
|
artikel
|
| 3 |
A combined ensemble-volume average homogenization method for lattice structures with defects under dynamic and static loading
|
Barclay, Paul L.
|
|
|
228 |
C |
p.
|
artikel
|
| 4 |
A computational study of CaWO4: Raman spectrum, intrinsic defects, and excited state properties
|
Ferré, Tanguy
|
|
|
228 |
C |
p.
|
artikel
|
| 5 |
A machine learning model for multi-class classification of quenched and partitioned steel microstructure type by the k-nearest neighbor algorithm
|
Gupta, Ashutosh Kumar
|
|
|
228 |
C |
p.
|
artikel
|
| 6 |
Anharmonicity and the emergence of diffusive behavior in a lattice-solute model solid-state electrolyte
|
Beg, Cameran
|
|
|
228 |
C |
p.
|
artikel
|
| 7 |
An investigation on microscopic and mechanical properties of polyethylene/boron nitride graphene nanocomposites by DFT calculations
|
Liu, Sitong
|
|
|
228 |
C |
p.
|
artikel
|
| 8 |
A novel Bayesian reconstruction of the configurational density of states
|
Moreno, Felipe
|
|
|
228 |
C |
p.
|
artikel
|
| 9 |
A potential function of MoS2 based on machine learning
|
Han, Lihong
|
|
|
228 |
C |
p.
|
artikel
|
| 10 |
Application of machine learning for the classification of corrosion behavior in different environments for material selection of stainless steels
|
Hakimian, Soroosh
|
|
|
228 |
C |
p.
|
artikel
|
| 11 |
A reactive molecular dynamics simulation of the atomic oxygen impact on poly(p-phenylene-terephthalamide)
|
Liu, Lei
|
|
|
228 |
C |
p.
|
artikel
|
| 12 |
Atomistically informed phase field study of austenite grain growth
|
Suhane, Ayush
|
|
|
228 |
C |
p.
|
artikel
|
| 13 |
Atomistic evaluation of the dislocation transmission across tilt and twist low-angle grain boundaries in body-centered cubic iron
|
Wakeda, Masato
|
|
|
228 |
C |
p.
|
artikel
|
| 14 |
Atomistic study of the impact response of bicontinuous nanoporous gold as a protection medium: Effect of porous-nonporous interface on failure evolution
|
Saffarini, Mohammed H.
|
|
|
228 |
C |
p.
|
artikel
|
| 15 |
Atomistic study of the properties and behavior under uniaxial tensile stress of some representative UO 2 grain boundaries
|
Manorosoa, Z.A.
|
|
|
228 |
C |
p.
|
artikel
|
| 16 |
Boron substitution induced FCC Fe/Cr23C6 interfacial strengthening: An ab initio study
|
Yu, Jianguo
|
|
|
228 |
C |
p.
|
artikel
|
| 17 |
CNT-based nanogun triggered by an electric field
|
Kang, Yuanyuan
|
|
|
228 |
C |
p.
|
artikel
|
| 18 |
Coarse-grained molecular dynamic model for metallic materials
|
Chalamet, Loïc
|
|
|
228 |
C |
p.
|
artikel
|
| 19 |
Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics
|
Mishra, Ankit
|
|
|
228 |
C |
p.
|
artikel
|
| 20 |
Computationally developed acrylated epoxidized methyl ester based pressure-sensitive adhesives
|
Singh, Manjinder
|
|
|
228 |
C |
p.
|
artikel
|
| 21 |
Correlated electron diffraction and energy-dispersive X-ray for automated microstructure analysis
|
Duran, E.C.
|
|
|
228 |
C |
p.
|
artikel
|
| 22 |
Corrigendum to “An ab initio molecular dynamics study on Ti2AlN(0001) surfaces” [Comput. Mater. Sci. 227 (2023) 112287]
|
Yu, Biao
|
|
|
228 |
C |
p.
|
artikel
|
| 23 |
Corrosion properties of sodium carboxymethyl cellulose on metal surface base on molecular dynamics simulation
|
Xu, Zhiming
|
|
|
228 |
C |
p.
|
artikel
|
| 24 |
Co-segregation effect of Si and Zr at Al/L12–Al3Sc interface
|
Yao, Jian-Gang
|
|
|
228 |
C |
p.
|
artikel
|
| 25 |
Crystal structure and physical properties of Ti2B5 predicted by first principles calculations
|
Zhang, Gangtai
|
|
|
228 |
C |
p.
|
artikel
|
| 26 |
Deriving equation from data via knowledge discovery and machine learning: A study of Young’s modulus of Ti-Nb alloys
|
Zhang, Huiran
|
|
|
228 |
C |
p.
|
artikel
|
| 27 |
Details of pearlite to austenite transformation in steel: Experiments and phase-field modeling
|
Mattos Ferreira, V.
|
|
|
228 |
C |
p.
|
artikel
|
| 28 |
DFT study of the formation of the Sb-Ag(111) (√3×√3) – R30° surface alloy
|
Yakovkin, I.N.
|
|
|
228 |
C |
p.
|
artikel
|
| 29 |
Discovering chemically novel, high-temperature superconductors
|
Seegmiller, Colton C.
|
|
|
228 |
C |
p.
|
artikel
|
| 30 |
Dislocation loop assisted precipitation of Cu-rich particles: A phase-field study
|
Yang, Wenkui
|
|
|
228 |
C |
p.
|
artikel
|
| 31 |
Editorial Board
|
|
|
|
228 |
C |
p.
|
artikel
|
| 32 |
Effect of periodic image interactions on kink pair activation of screw dislocation
|
Shuang, Fei
|
|
|
228 |
C |
p.
|
artikel
|
| 33 |
Efficiency and accuracy of GPU-parallelized Fourier spectral methods for solving phase-field models
|
Boccardo, A.D.
|
|
|
228 |
C |
p.
|
artikel
|
| 34 |
Elastic energy and interactions between twin boundaries in nanotwinned gold
|
Woguem, Yen Fred
|
|
|
228 |
C |
p.
|
artikel
|
| 35 |
Electronic and optical properties of C60/Ti2CT2 and C60/Ti3C2T2 (T = F, OH, or O) Heterostructures
|
Hajiahmadi, Zahra
|
|
|
228 |
C |
p.
|
artikel
|
| 36 |
Electronic and transport properties of boron- and nitrogen-rich graphene nanoribbons based on coronene-like units
|
de Sousa Miranda, Dayvid
|
|
|
228 |
C |
p.
|
artikel
|
| 37 |
Evaluation of water desalination performances of functionalized nanoporous graphene membranes by molecular dynamics simulation
|
Dehaghani, Maryam Zarghami
|
|
|
228 |
C |
p.
|
artikel
|
| 38 |
Evaluations of atomic-resolution strain fields using molecular dynamics simulations combined with corrected smoothed particle hydrodynamics
|
Kawagoe, Yoshiaki
|
|
|
228 |
C |
p.
|
artikel
|
| 39 |
First-principles study on discharge electrochemical performance of layered two-dimensional FeS2 cathode
|
Wei, Cheng-dong
|
|
|
228 |
C |
p.
|
artikel
|
| 40 |
First-principles study on the magnetic anisotropy of the CoFe/ MgAl2O4 heterostructures
|
Zheng, Huiling
|
|
|
228 |
C |
p.
|
artikel
|
| 41 |
Fitting the charged-optimized many-body potential for the Al-O-Se-Zn system
|
Pike, Nicholas A.
|
|
|
228 |
C |
p.
|
artikel
|
| 42 |
High temperature interfacial dynamics in Nickel coated Aluminum nanoparticles
|
Moitra, Amitava
|
|
|
228 |
C |
p.
|
artikel
|
| 43 |
Implementation and comparison of algebraic and machine learning based tensor interpolation methods applied to fiber orientation tensor fields obtained from CT images
|
Blarr, J.
|
|
|
228 |
C |
p.
|
artikel
|
| 44 |
Improving the prediction of mechanical properties of aluminium alloy using data-driven class-based regression
|
Bhat, Ninad
|
|
|
228 |
C |
p.
|
artikel
|
| 45 |
Li intercalation, electronic and thermodynamic properties in H2Ti3O7 bulk: A theoretical study
|
Juan, Julián
|
|
|
228 |
C |
p.
|
artikel
|
| 46 |
Linear scaling of charge transfer versus work function of Ammonia chemisorption on X-metal (X = Ag, Au, Pd, and Pt) surface
|
Wu, Guang
|
|
|
228 |
C |
p.
|
artikel
|
| 47 |
Machine learning of twin/matrix interfaces from local stress field
|
Troncoso, Javier F.
|
|
|
228 |
C |
p.
|
artikel
|
| 48 |
Mechanical properties of 2D metal–organic and covalent–organic frameworks with non trivial topological band dispersion
|
Kapri, Priyadarshini
|
|
|
228 |
C |
p.
|
artikel
|
| 49 |
Microstructural insights into the enigmatic network of random fibers: van Wyk’s notions revisited
|
Rawal, Amit
|
|
|
228 |
C |
p.
|
artikel
|
| 50 |
Molecular dynamics simulation unveiling anion charge and lattice volume dependent Li ion diffusion in lithium compounds
|
Xu, Zhenming
|
|
|
228 |
C |
p.
|
artikel
|
| 51 |
Molecular Dynamics study on buckling behavior of vertically aligned carbon nanotube (VACNT) bundles with characterized waviness
|
Al Tahhan, Aghyad B.
|
|
|
228 |
C |
p.
|
artikel
|
| 52 |
N-body potential for simulating lattice defects and diffusion in copper
|
Kartamyshev, A.I.
|
|
|
228 |
C |
p.
|
artikel
|
| 53 |
Numerical solution to phase-field model of solidification: A review
|
Zhang, Ang
|
|
|
228 |
C |
p.
|
artikel
|
| 54 |
Numerical study on the ductility improvement mechanism of dilute Mg-Ca alloys
|
Liu, Lijun
|
|
|
228 |
C |
p.
|
artikel
|
| 55 |
Outliers in Shannon’s effective ionic radii table and the table extension by machine learning
|
Alsalman, Mohammed
|
|
|
228 |
C |
p.
|
artikel
|
| 56 |
Phase-field modelling of electromigration-induced intergranular slit propagation in metal interconnects
|
Mukherjee, Arnab
|
|
|
228 |
C |
p.
|
artikel
|
| 57 |
Phase field simulation of hydrogen-assisted cracking with length-scale insensitive degradation function
|
Yang, Gengyin
|
|
|
228 |
C |
p.
|
artikel
|
| 58 |
Phase-field theory based finite element analysis for ratchetting behavior of medium-manganese steel
|
Chang, Shuxin
|
|
|
228 |
C |
p.
|
artikel
|
| 59 |
Predicting mechanical properties of defective h-BN nanosheets using Data-Driven models
|
Mousavi, S.A.
|
|
|
228 |
C |
p.
|
artikel
|
| 60 |
Prediction of fracture behavior of Al2O3-Cr2O3 ceramics in different Cr2O3 ratios under flexure load using machine learning methods
|
Katırcı, Ramazan
|
|
|
228 |
C |
p.
|
artikel
|
| 61 |
Prediction of the effective viscoelastic properties of polymer-based microstructure with randomly-placed linear elastic inclusions using convolutional neural network
|
Mohammadnejad, Mohammadreza
|
|
|
228 |
C |
p.
|
artikel
|
| 62 |
Retraction notice to “Modeling fracture toughness of ferritic and austenitic functionally graded steel based on the strain gradient plasticity theory” [Comput. Mater. Sci. 50(11) (2011) 3238–3244
|
Nazari, Ali
|
|
|
228 |
C |
p.
|
artikel
|
| 63 |
Room-temperature ferromagnetic half-metallicity of two-dimensional oxyhalides CrOX2 (X = F, Cl) monolayers
|
Gu, Xiaowei
|
|
|
228 |
C |
p.
|
artikel
|
| 64 |
Saddle point search with dynamic active volume
|
Liang, Tao
|
|
|
228 |
C |
p.
|
artikel
|
| 65 |
Significantly improved interfacial mechanical properties in boron nitride nanosheet/Ti composite via nano-configuration: A molecular dynamics study
|
Liu, Zhenqiang
|
|
|
228 |
C |
p.
|
artikel
|
| 66 |
Silicon surface characteristics in vibration-assisted machining process via molecular dynamics
|
Nguyen, Van-Thuc
|
|
|
228 |
C |
p.
|
artikel
|
| 67 |
Simulated annealing framework for generating representative volume elements of materials with complex ligamentous microstructures
|
Davoodi Kermani, Iman
|
|
|
228 |
C |
p.
|
artikel
|
| 68 |
Simulation of GaAs nanowire annealing
|
Nastovjak, A.G.
|
|
|
228 |
C |
p.
|
artikel
|
| 69 |
Stacking and thickness effects on cross-plane thermal conductivity of hexagonal boron nitride
|
Wang, S.G.
|
|
|
228 |
C |
p.
|
artikel
|
| 70 |
Structural and electronic properties of the Te-rich ZnOxTe1-x
|
Zhao, Chuan‑Zhen
|
|
|
228 |
C |
p.
|
artikel
|
| 71 |
Theoretical insight of confinement of filament in SrMoO3 electrode by compositional control for memory devices
|
Rasheed, Umbreen
|
|
|
228 |
C |
p.
|
artikel
|
| 72 |
Transfer learning for predicting reorganization energy
|
Zhang, Xushi
|
|
|
228 |
C |
p.
|
artikel
|
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