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 |