| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerating high-throughput searches for new alloys with active learning of interatomic potentials
|
Gubaev, Konstantin
|
|
2019
|
156 |
C |
p. 148-156
|
artikel
|
| 2 |
A comparative first-principles study of point defect properties in the layered MX2 (M = Mo, W; X = S, Te): Substitution by the groups III, V and VII elements
|
Guo, Dan
|
|
2019
|
156 |
C |
p. 280-285
|
artikel
|
| 3 |
A microstructure-guided numerical approach to evaluate strain sensing and damage detection ability of random heterogeneous self-sensing structural materials
|
Nayak, Sumeru
|
|
2019
|
156 |
C |
p. 195-205
|
artikel
|
| 4 |
An atomistic study of phase transition in cubic diamond Si single crystal subjected to static compression
|
Prasad, Dipak
|
|
2019
|
156 |
C |
p. 232-240
|
artikel
|
| 5 |
An automated algorithm for reliable equation of state fitting of magnetic systems
|
Levämäki, H.
|
|
2019
|
156 |
C |
p. 121-128
|
artikel
|
| 6 |
An efficient machine learning approach to establish structure-property linkages
|
Jung, Jaimyun
|
|
2019
|
156 |
C |
p. 17-25
|
artikel
|
| 7 |
Anomalous system-size dependence of properties at the fragile-to-strong transition in a bulk-metallic-glass forming melt
|
Sukhomlinov, Sergey V.
|
|
2019
|
156 |
C |
p. 129-134
|
artikel
|
| 8 |
Anomalous water and ion dynamics in hydroxyapatite mesopores
|
Honório, Túlio
|
|
2019
|
156 |
C |
p. 26-34
|
artikel
|
| 9 |
A topologically correct method of dislocations construction for atomistic modeling
|
Khromov, K.Yu.
|
|
2019
|
156 |
C |
p. 301-309
|
artikel
|
| 10 |
Bulk modulus of poly(ethylene oxide) simulated using the systematically coarse-grained model
|
Wu, Chaofu
|
|
2019
|
156 |
C |
p. 89-95
|
artikel
|
| 11 |
Can fluorine and chlorine functionalization stabilize the graphene like borophene?
|
Shahrokhi, Masoud
|
|
2019
|
156 |
C |
p. 56-66
|
artikel
|
| 12 |
Coalescence and epitaxial self-assembly of Cu nanoparticles on graphene surface: A molecular dynamics study
|
Tsai, Ping-Chi
|
|
2019
|
156 |
C |
p. 104-110
|
artikel
|
| 13 |
Comparing the performance of LDA and GGA functionals in predicting the lattice thermal conductivity of III-V semiconductor materials in the zincblende structure: The cases of AlAs and BAs
|
Arrigoni, Marco
|
|
2019
|
156 |
C |
p. 354-360
|
artikel
|
| 14 |
Development of a pair potential for Ta-He system
|
Duan, Xianbao
|
|
2019
|
156 |
C |
p. 268-272
|
artikel
|
| 15 |
DFT studies on the key competing reaction steps towards complete ethanol oxidation on transition metal catalysts
|
Miao, Bei
|
|
2019
|
156 |
C |
p. 175-186
|
artikel
|
| 16 |
DFT study of electronic structure properties of SrAFe4As4 (A = Rb and Cs) superconductors
|
Mai, Thi Ly
|
|
2019
|
156 |
C |
p. 206-214
|
artikel
|
| 17 |
Editorial Board
|
|
|
2019
|
156 |
C |
p. ii
|
artikel
|
| 18 |
Effect of atom vacancies on elastic and electronic properties of transversely isotropic boron nitride nanotubes: A comprehensive computational study
|
Choyal, Vijay
|
|
2019
|
156 |
C |
p. 332-345
|
artikel
|
| 19 |
Effect of Ca addition on plastic flow in nanocrystalline magnesium by atomistic simulation
|
Mohammadzadeh, Roghayeh
|
|
2019
|
156 |
C |
p. 411-420
|
artikel
|
| 20 |
Effect of C and O dopant atoms on the electronic properties of black phosphorus nanotubes
|
Dai, Xinyue
|
|
2019
|
156 |
C |
p. 292-300
|
artikel
|
| 21 |
Electronic properties of Janus MoSSe nanotubes
|
Luo, Yu Feng
|
|
2019
|
156 |
C |
p. 315-320
|
artikel
|
| 22 |
Elements (Si, Sn, and Mg) doped α-Ga2O3: First-principles investigations and predictions
|
Dong, Linpeng
|
|
2019
|
156 |
C |
p. 273-279
|
artikel
|
| 23 |
End-capped group manipulation of fluorene-based small molecule acceptors for efficient organic solar cells
|
Wang, Yan-Ling
|
|
2019
|
156 |
C |
p. 252-259
|
artikel
|
| 24 |
First-principles calculation of multiple hydrogen segregation along aluminum grain boundaries
|
Yamaguchi, M.
|
|
2019
|
156 |
C |
p. 368-375
|
artikel
|
| 25 |
First-principles study of the vibrational characteristics of the heavy element substitution on Cu3SbSe3
|
Xue, Junling
|
|
2019
|
156 |
C |
p. 167-174
|
artikel
|
| 26 |
From LaAlO3/SrTiO3 to LaAlO3/KNbO3: Improving the transport properties of two-dimensional electronic gas in created +1/+1 interfaces
|
Li, Jun
|
|
2019
|
156 |
C |
p. 286-291
|
artikel
|
| 27 |
Gap effect on stable rotation of a carbon nanotube nearby diamond needles
|
Li, Yonghong
|
|
2019
|
156 |
C |
p. 260-267
|
artikel
|
| 28 |
Grain boundary induced deformation mechanisms in nanocrystalline Al by molecular dynamics simulation: From interatomic potential perspective
|
Zhang, Liang
|
|
2019
|
156 |
C |
p. 421-433
|
artikel
|
| 29 |
Grain orientation dependence of ΔE effect and magnetomechanical coupling factor in polycrystalline Galfenol alloy
|
Jiang, Hui
|
|
2019
|
156 |
C |
p. 67-76
|
artikel
|
| 30 |
High-symmetry tin(II) iodides as promising light absorbers for solar cells: A theoretical prediction
|
White, Jessica Jein
|
|
2019
|
156 |
C |
p. 246-251
|
artikel
|
| 31 |
Influence of integration formulations on the performance of the fast inertial relaxation engine (FIRE) method
|
Shuang, Fei
|
|
2019
|
156 |
C |
p. 135-141
|
artikel
|
| 32 |
In-plane compressive behavior of graphene-coated aluminum nano-honeycombs
|
Zhou, Yu
|
|
2019
|
156 |
C |
p. 396-403
|
artikel
|
| 33 |
Looking for new thermoelectric materials among TMX intermetallics using high-throughput calculations
|
Barreteau, Celine
|
|
2019
|
156 |
C |
p. 96-103
|
artikel
|
| 34 |
Mechanical behaviour of rapidly solidified aluminium with multiple twinned nanograins: A molecular dynamics simulation study
|
Liu, Lixia
|
|
2019
|
156 |
C |
p. 1-6
|
artikel
|
| 35 |
Mechanical properties of defective double-walled boron nitride nanotubes for radiation shielding applications: A computational study
|
Darwish, Ahmed A.
|
|
2019
|
156 |
C |
p. 142-147
|
artikel
|
| 36 |
Mechanism of material removal during nanofinishing of aluminium in aqueous KOH: A reactive molecular dynamics simulation study
|
Ranjan, Prabhat
|
|
2019
|
156 |
C |
p. 35-46
|
artikel
|
| 37 |
Method of artificial intelligence algorithm to improve the automation level of Rietveld refinement
|
Feng, Zhenjie
|
|
2019
|
156 |
C |
p. 310-314
|
artikel
|
| 38 |
Modeling hydrogen solvus in zirconium solution by the mesoscale phase-field modeling code Hyrax
|
Lin, Jun-li
|
|
2019
|
156 |
C |
p. 224-231
|
artikel
|
| 39 |
Modeling of thermal deformation behavior near γ′ solvus in a Ni-based powder metallurgy superalloy
|
Zhang, Ming
|
|
2019
|
156 |
C |
p. 241-245
|
artikel
|
| 40 |
Modelling feasibility constraints for materials design: Application to inverse crystallographic texture problem
|
Jung, Jaimyun
|
|
2019
|
156 |
C |
p. 361-367
|
artikel
|
| 41 |
Modelling of thermal expansion of single- and two-phase ceramic polycrystals utilising synthetic 3D microstructures
|
Grabowski, Grzegorz
|
|
2019
|
156 |
C |
p. 7-16
|
artikel
|
| 42 |
Molecular dynamics simulation of alloying during sintering of Li and Pb metallic nanoparticles
|
Yang, Lvyan
|
|
2019
|
156 |
C |
p. 47-55
|
artikel
|
| 43 |
Multiscale modeling of pressure-assisted sintering
|
Nosewicz, S.
|
|
2019
|
156 |
C |
p. 385-395
|
artikel
|
| 44 |
Object kinetic Monte Carlo methods applied to modeling radiation effects in materials
|
Caturla, María J.
|
|
2019
|
156 |
C |
p. 452-459
|
artikel
|
| 45 |
On a pluri-Gaussian model for three-phase microstructures, with applications to 3D image data of gas-diffusion electrodes
|
Neumann, Matthias
|
|
2019
|
156 |
C |
p. 325-331
|
artikel
|
| 46 |
Prediction of novel ground state and high pressure phases for W2N3: First-principles
|
Wang, Yantao
|
|
2019
|
156 |
C |
p. 215-223
|
artikel
|
| 47 |
Quantitative cellular automaton model and simulations of dendritic and anomalous eutectic growth
|
Wei, Lei
|
|
2019
|
156 |
C |
p. 157-166
|
artikel
|
| 48 |
Recent advances in the evolution of interfaces: thermodynamics, upscaling, and universality
|
Schmuck, M.
|
|
2019
|
156 |
C |
p. 441-451
|
artikel
|
| 49 |
Splitting of Shockley surface states in thin films of noble metals
|
Yakovkin, I.N.
|
|
2019
|
156 |
C |
p. 84-88
|
artikel
|
| 50 |
Strain effect of high Tc ferromagnetism in Mo-doped SnS2 monolayer
|
Liu, Yaming
|
|
2019
|
156 |
C |
p. 321-324
|
artikel
|
| 51 |
Structural deformation and transformation of θ′-Al2Cu precipitate in Al matrix via interfacial diffusion
|
Wang, Jiaqi
|
|
2019
|
156 |
C |
p. 111-120
|
artikel
|
| 52 |
Structural relaxation of porous glasses due to internal stresses and deformation under tensile loading at constant pressure
|
Priezjev, Nikolai V.
|
|
2019
|
156 |
C |
p. 376-384
|
artikel
|
| 53 |
Tensile deformation of nanocrystalline Al-matrix composites: Effects of the SiC particle and graphene
|
Zhan, J.M.
|
|
2019
|
156 |
C |
p. 187-194
|
artikel
|
| 54 |
Theoretical and experimental investigations of the structural and optoelectronic properties of Zn1−xCdxO alloys
|
Gandouzi, Mohamed
|
|
2019
|
156 |
C |
p. 346-353
|
artikel
|
| 55 |
Theoretical investigations into effects of adulteration crystal defect on properties of CL-20/TNT cocrystal explosive
|
Hang, Gui-yun
|
|
2019
|
156 |
C |
p. 77-83
|
artikel
|
| 56 |
Trotter-Suzuki-time propagation method for calculating the density of states of disordered graphene
|
Ariasoca, Thomas Aquino
|
|
2019
|
156 |
C |
p. 434-440
|
artikel
|
| 57 |
Unsupported shock wave induced dynamic fragmentation of matrix in lead with surface grooves
|
Wang, JiaNan
|
|
2019
|
156 |
C |
p. 404-410
|
artikel
|
Tijdschrift beschrijving