| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio atomistic insights into lead-free formamidinium based hybrid perovskites for photovoltaics and optoelectronics
|
Roknuzzaman, Md
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 2 |
Ab initio study of electronic structure properties of CaAFe4As4 (A = K, Rb and Cs) superconductors
|
Mai, Thi Ly
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 3 |
A comparison of material flow strength models using Bayesian cross-validation
|
Bernstein, Jason
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 4 |
An improved Green’s function algorithm applied to quantum transport in carbon nanotubes
|
Teichert, Fabian
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 5 |
A sharp interface model for deterministic simulation of dendrite growth
|
Ramanuj, Vimal
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 6 |
A spatially-varying relaxation parameter Lattice Boltzmann Method (SVRP-LBM) for predicting the effective thermal conductivity of composite material
|
Ke, Xinyuan
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 7 |
Atomic structure evolution in metallic glasses under cyclic deformation
|
Bai, Yalei
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 8 |
Atomic structure of Ni-Nb-Y amorphous alloys and water-surface adsorption characteristics
|
Grixti, Sean
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 9 |
Atomistic simulations to study the effect of water molecules on the mechanical behavior of functionalized and non-functionalized boron nitride nanosheets
|
Sharma, Bharat Bhushan
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 10 |
Cohesive zone representation of interfacial fracture in aluminum-silicon bimaterials
|
Zhuo, Xiao Ru
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 11 |
Deposition mechanism of graphene flakes directly from graphite particles in the kinetic spray process studied using molecular dynamics simulation
|
Nasim, Mohammad
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 12 |
Development of a phase field method for modeling brittle and ductile fracture
|
Huang, Chuanshi
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 13 |
Discovery of a new crystal structure of LiBeF3 and its thermodynamic and optical properties
|
Wang, Kun
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 14 |
Doped graphene and Ag(1 1 1) hybrid material as fuel cell electrode: New insights on interfacial features and oxygen adsorption from dispersion-corrected density functional theory
|
Schiavo, Eduardo
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 15 |
Editorial Board
|
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 16 |
Effect of heterogeneous particle size on nanostructure evolution: A phase-field study
|
Chakrabarti, Tamoghna
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 17 |
Effect of magnetic ordering on the spinodal decomposition of the Fe-Cr system: A GPU-accelerated phase-field study
|
Lee, Jeonghwan
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 18 |
Effect of molecular packing and hydrogen bonding on the properties of epoxy-amido amine systems
|
Srikanth, Arun
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 19 |
Effect of organic spacers on electronic, optical and transport properties of two-dimensional layered lead-halide perovskites
|
Madjet, M.E.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 20 |
Effect of pressure on the interactions and phase diagrams of binary alloys
|
Makov, G.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 21 |
Effects of dislocations with different locations, orientations and density on domain evolution of ferroelectric thin film: A phase field study
|
Liu, Xuanling
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 22 |
Effects of strains on the electronic structure and optical properties of Ce-doped ZnO with interstitial H
|
Xu, Zhenchao
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 23 |
Efficient generation of non-cubic stochastic periodic bicontinuous nanoporous structures
|
Liu, Chang
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 24 |
Electronic and mechanical properties of predicted tin nitride stoichiometric compounds under high pressure
|
Aslam, Muhammad Aamir
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 25 |
Electronic and thermoelectric properties of ZrSxSe2−x
|
Ghafari, A.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 26 |
Emulsified oil phase induced internal instability of ionic and nonionic foams revealed by coarse-grained molecular dynamics simulation
|
Sun, Shuangqing
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 27 |
Error assessment and optimal cross-validation approaches in machine learning applied to impurity diffusion
|
Lu, Hai-Jin
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 28 |
First principles calculation of UO2 polymorphs and phase transitions under compressive and tensile loading
|
Tian, Xiaofeng
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 29 |
First-principles investigation of N-triphenylene-graphdiyne nanosheets as an anode material for Na, K, Mg and Ca storage
|
Salavati, Mohammad
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 30 |
First principles study of structural stability against the distribution of Mg and Al atoms and adsorption behaviors of heavy metals of attapulgite
|
Yang, Min
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 31 |
Formation and behaviors of helium bubbles in Li4SiO4: A molecular dynamics simulation
|
Ma, Shenggui
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 32 |
Giant anisotropy of thermal expansion and thermomechanical properties of monolayer α-antimonene: A first-principles study
|
Liu, Gang
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 33 |
High-pressure stable phases in mercury azide
|
Guo, Shitai
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 34 |
Hydrogen-induced cracking of an aluminum single crystal: An atomistic simulation
|
Lee, Gi Hun
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 35 |
Interface intrinsic strengthening mechanism on the tensile properties of Al2O3/Al composites
|
Chen, Yongtao
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 36 |
Intrinsic mechanical properties and fracture mechanism of monolayer penta-graphene investigated by nanoindentation: A molecular dynamics study
|
Tu, Wenjing
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 37 |
Materials data specification: Methods and use cases
|
Qian, Quan
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 38 |
Mechanical behavior of metallic nanowires with twin boundaries parallel to loading axis
|
Hao, Longhu
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 39 |
Molecular dynamics simulation of proton conductivity enhancement in polymer membranes by Y-doped BaCeO3 nanoparticles
|
Rahmati, Mahmoud
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 40 |
Molecular dynamics simulation of the interaction of HLL peptide and 2D materials with individual residue resolution
|
Stroud, Andrew
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 41 |
On the elasticity and piezoelectricity of black(blue) phosphorus/ZnO van der Waals heterostructures
|
Li, Xiaobao
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 42 |
On the role of Cu-Zr amorphous intergranular films on crack growth retardation in nanocrystalline Cu during monotonic and cyclic loading conditions
|
Pal, Snehanshu
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 43 |
Parametric microstructure modeling of compressed cathode materials for Li-ion batteries
|
Prifling, Benedikt
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 44 |
Phase-field investigation of dendrite growth in the molten pool with the deflection of solid/liquid interface
|
Yu, Fengyi
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 45 |
Potential and distance dependent charge transfer: Hybrid first-principles/continuum calculations
|
Jiang, Hongxing
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 46 |
Predicting the mechanical response of oligocrystals with deep learning
|
Frankel, A.L.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 47 |
Preface
|
Karakasidis, Theodoros
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 48 |
PRISMS-Plasticity: An open-source crystal plasticity finite element software
|
Yaghoobi, Mohammadreza
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 49 |
Puckered arsenene single-walled nanotubes: Stability, geometry, and electronic properties
|
Fernández-Escamilla, H.N.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 50 |
Reactive molecular dynamics simulation of the amorphous carbon growth: Effect of the carbon triple bonds
|
Li, Xiaowei
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 51 |
Reliable estimation of effective thermal properties of a 2-phase material by its optimized modelling in view of Lattice Monte-Carlo simulation
|
Li, Ziwei
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 52 |
Rheology of symmetric diblock copolymers
|
Schneider, Ludwig
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 53 |
Structural, elastic, and quasiparticle bandstructure of 4,4′-Bis(nitramino)azofurazan from first principles theory
|
Mondal, S.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 54 |
Structural, elastic, vibrational and electronic properties of amorphous Sm2O3 from Ab Initio calculations
|
Olsson, Emilia
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 55 |
Structure, energy and electronic properties of Ag/Cu/M (M = Ni, Pd) interfaces: A first principles study
|
Hu, Jieqiong
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 56 |
The effects of size and shape on the structural and thermal stability of platinum nanoparticles
|
Wang, Gang
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 57 |
The interaction between the displacive transformation and the diffusion process in the bainitic type transformation
|
Elhigazi, F.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 58 |
Theoretical studies on oxygen vacancy migration energy barrier in the orthorhombic λ phase Ta2O5
|
Hur, Ji-Hyun
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 59 |
ThermoEPred-EL: Robust bandgap predictions of chalcogenides with diamond-like structure via feature cross-based stacked ensemble learning
|
Wang, Xiangmeng
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 60 |
Topological nodal lines in three-dimensional single wall carbon nanotube network
|
Huang, F.F.
|
|
2019
|
169 |
C |
p.
|
artikel
|
| 61 |
Which phase of iron oxyhydroxides (FeOOH) is more competent in overall water splitting as a photocatalyst, goethite, akaganeite or lepidocrocite? A DFT-based investigation
|
Huang, Zhenxiong
|
|
2019
|
169 |
C |
p.
|
artikel
|
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