nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio dynamical stability of tungsten at high pressures and high temperatures
|
Zhang, Huai-Yong |
|
2018 |
144 |
C |
p. 32-35 |
artikel |
2 |
A scalable parallel framework for microstructure analysis of large-scale molecular dynamics simulations data
|
Wu, Guoqing |
|
2018 |
144 |
C |
p. 322-330 |
artikel |
3 |
A spatial decomposition parallel algorithm for a concurrent atomistic-continuum simulator and its preliminary applications
|
Chen, Hao |
|
2018 |
144 |
C |
p. 1-10 |
artikel |
4 |
A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag
|
Luo, H.B. |
|
2018 |
144 |
C |
p. 120-125 |
artikel |
5 |
Brittle-to-ductile transition in fracture of few-layered black phosphorus ribbons under uniaxial stretching
|
Wang, Lei |
|
2018 |
144 |
C |
p. 210-215 |
artikel |
6 |
Characterization of melting properties of several Fe-C model potentials
|
Melnykov, Mykhailo |
|
2018 |
144 |
C |
p. 273-279 |
artikel |
7 |
Classical and quantum calculations of the temperature dependence of the free energy of argon
|
Xu, Wenwu |
|
2018 |
144 |
C |
p. 36-41 |
artikel |
8 |
Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective
|
Petretto, Guido |
|
2018 |
144 |
C |
p. 331-337 |
artikel |
9 |
Density-functional theory based molecular dynamics simulation of tetrahedrite thermoelectrics: Effect of cell size and basis sets
|
Li, Junchao |
|
2018 |
144 |
C |
p. 315-321 |
artikel |
10 |
DFT calculation for stability and strength of iron borides
|
Huang, H.H. |
|
2018 |
144 |
C |
p. 147-153 |
artikel |
11 |
DFT-NEGF simulation of graphene-graphdiyne-graphene resonant tunneling transistor
|
Shohany, Boshra Ghanbari |
|
2018 |
144 |
C |
p. 280-284 |
artikel |
12 |
Editorial Board
|
|
|
2018 |
144 |
C |
p. ii |
artikel |
13 |
Effect of strain on thermal conductivity of amorphous silicon dioxide thin films: A molecular dynamics study
|
Gu, Hanqing |
|
2018 |
144 |
C |
p. 133-138 |
artikel |
14 |
Electronic and optical properties of monolayer black phosphorus induced by bi-axial strain
|
Xie, Zhongjing |
|
2018 |
144 |
C |
p. 304-314 |
artikel |
15 |
Enhancement of ion conductivity for doped electrolytes in SOFC by MD modeling
|
Lai, Hsin-Yi |
|
2018 |
144 |
C |
p. 265-272 |
artikel |
16 |
Faceted and dendritic morphology change in alloy solidification
|
Bollada, P.C. |
|
2018 |
144 |
C |
p. 76-84 |
artikel |
17 |
First-principles study for strain effects on oxygen migration in zirconium
|
Liu, Liucheng |
|
2018 |
144 |
C |
p. 345-354 |
artikel |
18 |
Formation of ferromagnetic/ferrimagnetic epitaxial interfaces: Stability and magnetic properties
|
Guerrero-Sánchez, J. |
|
2018 |
144 |
C |
p. 294-303 |
artikel |
19 |
Generalization of the Fourier-spectral Eyre scheme for the phase-field equations: Application to self-assembly dynamics in materials
|
Demange, G. |
|
2018 |
144 |
C |
p. 11-22 |
artikel |
20 |
Grain size effects on indentation-induced plastic deformation and amorphization process of polycrystalline silicon
|
Fan, Jinjun |
|
2018 |
144 |
C |
p. 113-119 |
artikel |
21 |
Kapitza conductance of symmetric tilt grain boundaries of monolayer boron nitride
|
Elapolu, Mohan S.R. |
|
2018 |
144 |
C |
p. 161-169 |
artikel |
22 |
Kinetic Monte Carlo model for 1-D migration in a field of strong traps: Application to self-interstitial clusters in W-Re alloys
|
Bonny, G. |
|
2018 |
144 |
C |
p. 355-362 |
artikel |
23 |
Mechanical behavior of a novel carbon-based nanostructured aluminum material
|
Erturk, Ahmet Semih |
|
2018 |
144 |
C |
p. 193-209 |
artikel |
24 |
Mechanics of point defect diffusion near dislocations and grain boundaries: A chemomechanical framework
|
Zarnas, Patrick D. |
|
2018 |
144 |
C |
p. 99-112 |
artikel |
25 |
Mechanism of intrinsic diffusion in the core of screw dislocations in FCC metals – A molecular dynamics study
|
Soltani, Siavash |
|
2018 |
144 |
C |
p. 50-55 |
artikel |
26 |
Modelling of nucleation in Impulse atomized undercooled droplets
|
Valloton, J. |
|
2018 |
144 |
C |
p. 176-180 |
artikel |
27 |
Molecular dynamics analysis of plastic deformation and mechanics of imprinted metallic glass films
|
Wu, Cheng-Da |
|
2018 |
144 |
C |
p. 248-255 |
artikel |
28 |
New predicted ground state and high pressure phases of TcB3 and TcB4: First-principles
|
Ying, Chun |
|
2018 |
144 |
C |
p. 154-160 |
artikel |
29 |
Oxygen adsorption and diffusion on γ-U(0 0 1) surface: Effect of titanium
|
Liu, Guangdong |
|
2018 |
144 |
C |
p. 85-91 |
artikel |
30 |
Oxygen diffusion and migration in clean and defective uranium nitride UN (0 0 1) surfaces
|
Zergoug, T. |
|
2018 |
144 |
C |
p. 56-63 |
artikel |
31 |
Phase-field analysis of volume-diffusion controlled shape-instabilities in metallic systems-I: 2-Dimensional plate-like structures
|
Kubendran Amos, P.G. |
|
2018 |
144 |
C |
p. 363-373 |
artikel |
32 |
Phase-field analysis of volume-diffusion controlled shape-instabilities in metallic systems-II: Finite 3-dimensional rods
|
Kubendran Amos, P.G. |
|
2018 |
144 |
C |
p. 374-385 |
artikel |
33 |
Phase-field simulation and analytical modelling of CaSiO3 growth in CaO-Al2O3-SiO2 melts
|
Liu, Jingjing |
|
2018 |
144 |
C |
p. 126-132 |
artikel |
34 |
Predicting two-dimensional carbon phosphide compouds: C2P4 by the global optimization method
|
Fu, Xi |
|
2018 |
144 |
C |
p. 70-75 |
artikel |
35 |
Prediction of interstitial diffusion activation energies of nitrogen, oxygen, boron and carbon in bcc, fcc, and hcp metals using machine learning
|
Zeng, Yingzhi |
|
2018 |
144 |
C |
p. 232-247 |
artikel |
36 |
Reconstruction of three-dimensional heterogeneous media from a single two-dimensional section via co-occurrence correlation function
|
Feng, Junxi |
|
2018 |
144 |
C |
p. 181-192 |
artikel |
37 |
Screening polyethylene oxide-based composite polymer electrolytes via combining effective medium theory and Halpin-Tsai model
|
Li, Yuanji |
|
2018 |
144 |
C |
p. 338-344 |
artikel |
38 |
Simulation and analysis of γ -Ni cellular growth during laser powder deposition of Ni-based superalloys
|
Ghosh, Supriyo |
|
2018 |
144 |
C |
p. 256-264 |
artikel |
39 |
Strengthening effects of alloying elements W and Re on Ni3Al: A first-principles study
|
Gong, Wei |
|
2018 |
144 |
C |
p. 23-31 |
artikel |
40 |
Strengthening mechanisms of graphene coated copper under nanoindentation
|
Zhao, Yinbo |
|
2018 |
144 |
C |
p. 42-49 |
artikel |
41 |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study
|
González-García, Alvaro |
|
2018 |
144 |
C |
p. 285-293 |
artikel |
42 |
Temperature-based plastic deformation mechanism of Cu/Ag nanocomposites: A molecular dynamics study
|
Kardani, A. |
|
2018 |
144 |
C |
p. 223-231 |
artikel |
43 |
Tetragon-based carbon allotropes T-C8 and its derivatives: A theoretical investigation
|
Lv, Yanan |
|
2018 |
144 |
C |
p. 170-175 |
artikel |
44 |
The effect of alkali metal over Mn/TiO2 for low-temperature SCR of NO with NH3 through DRIFT and DFT
|
Wei, Lu |
|
2018 |
144 |
C |
p. 216-222 |
artikel |
45 |
The effects of strain and vacancy defects on the electronic structure of Cr2O3
|
Mi, Zhishan |
|
2018 |
144 |
C |
p. 64-69 |
artikel |
46 |
Transparency enhancement for SrVO3 by SrTiO3 mixing: A first-principles study
|
Liu, Z.T.Y. |
|
2018 |
144 |
C |
p. 139-146 |
artikel |
47 |
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties
|
Mobaraki, Arash |
|
2018 |
144 |
C |
p. 92-98 |
artikel |