nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio study on localization and finite size effects in the structural, electronic, and optical properties of hydrogenated amorphous silicon
|
Czaja, Philippe |
|
|
155 |
C |
p. 159-168 |
artikel |
2 |
Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures
|
Cheng, Jianli |
|
|
155 |
C |
p. 92-103 |
artikel |
3 |
An efficient Monte Carlo algorithm for determining the minimum energy structures of metallic grain boundaries
|
Banadaki, Arash Dehghan |
|
|
155 |
C |
p. 466-475 |
artikel |
4 |
Anisotropy of plasticity and structural transformations under uniaxial tension of iron crystallites
|
Zolnikov, Konstantin P. |
|
|
155 |
C |
p. 312-319 |
artikel |
5 |
A sensitivity analysis of the columnar-to-equiaxed transition for Ni-based superalloys in electron beam additive manufacturing
|
Haines, M. |
|
|
155 |
C |
p. 340-349 |
artikel |
6 |
Atomistic mechanisms of Cu CMP in aqueous H2O2: Molecular dynamics simulations using ReaxFF reactive force field
|
Guo, Xiaoguang |
|
|
155 |
C |
p. 476-482 |
artikel |
7 |
Atomistic simulation study on the shear behavior of Ag/MgO interface
|
Fu, X.Q. |
|
|
155 |
C |
p. 116-128 |
artikel |
8 |
Basal 〈a〉 dislocation-{ 1 ¯ 0 1 1 } contraction twin interactions in magnesium
|
Li, Zhe |
|
|
155 |
C |
p. 11-16 |
artikel |
9 |
Candidate replacements for lead in CH3NH3PbI3 from first principles calculations
|
Gabriel, Joshua J. |
|
|
155 |
C |
p. 69-73 |
artikel |
10 |
Cellular tip splitting instability during transient growth
|
Wang, Zheng |
|
|
155 |
C |
p. 364-372 |
artikel |
11 |
Composition and processing dependent miscibility of P3HT and PCBM in organic solar cells by coarse-grained molecular simulations
|
Munshi, Joydeep |
|
|
155 |
C |
p. 112-115 |
artikel |
12 |
Corrigendum to “Nonequilibrium grain boundaries and their relaxation under oscillating stresses in columnar nickel nanocrystals studied by molecular dynamics” [Comp. Mater. Sci. 151 (2018) 204–213]
|
Nazarov, Ayrat A. |
|
|
155 |
C |
p. 554 |
artikel |
13 |
Dynamics of reactions inhibiting epitaxial growth of Si(100) surfaces via interaction with hydrogen chloride
|
Kunioshi, Nilson |
|
|
155 |
C |
p. 28-35 |
artikel |
14 |
Editorial Board
|
|
|
|
155 |
C |
p. ii |
artikel |
15 |
Effective hopping strength between supercells in a disordered tight-binding model
|
Ashhab, S. |
|
|
155 |
C |
p. 534-540 |
artikel |
16 |
Effect of density functionals on the vibrational and thermodynamic properties of Fe2VAl and Fe2TiSn compounds
|
Shastri, Shivprasad S. |
|
|
155 |
C |
p. 282-287 |
artikel |
17 |
Effect of indentation speed on deformation behaviors of surface modified silicon: A molecular dynamics study
|
Chen, Juan |
|
|
155 |
C |
p. 1-10 |
artikel |
18 |
Effect of precipitate orientation on the twinning deformation in magnesium alloys
|
Fan, Haidong |
|
|
155 |
C |
p. 378-382 |
artikel |
19 |
Efficient energy basin finding method for atomistic kinetic Monte Carlo models
|
Dokukin, S.A. |
|
|
155 |
C |
p. 209-215 |
artikel |
20 |
Electric field effect in boron and nitrogen doped graphene bilayers
|
Nemnes, G.A. |
|
|
155 |
C |
p. 175-179 |
artikel |
21 |
Electronic structures and magnetic properties of (Ni,Al) co-doped 4H-SiC: A first-principles study
|
Lin, Long |
|
|
155 |
C |
p. 169-174 |
artikel |
22 |
Electronic transport properties of heterojunction Pb/Pb-Si nanochain devices
|
Zhang, Lishu |
|
|
155 |
C |
p. 216-223 |
artikel |
23 |
Electron-phonon investigation in stanene
|
Kanga, N.B.-J. |
|
|
155 |
C |
p. 63-68 |
artikel |
24 |
Facet-dependent diffusion of atomic oxygen on Ag surfaces
|
Zhu, Lin |
|
|
155 |
C |
p. 17-27 |
artikel |
25 |
First principles investigation on the elastic and electronic properties of Mn, Co, Nb, Mo doped LiFePO4
|
Zhang, Dongxu |
|
|
155 |
C |
p. 410-415 |
artikel |
26 |
First-principles investigations of ω variant selection during athermal β → ω transformation of binary Ti-xMo alloy
|
Zhu, Jia-Lin |
|
|
155 |
C |
p. 524-533 |
artikel |
27 |
First-principles study of electronic structure, magnetic and optical properties of Mg-doped CeO2 (1 1 1) surface
|
Qi, Mengyu |
|
|
155 |
C |
p. 325-330 |
artikel |
28 |
Grain size effects on indentation-induced defect evolution and plastic deformation mechanism of ploycrystalline materials
|
Zhao, Pengyue |
|
|
155 |
C |
p. 431-438 |
artikel |
29 |
Initiation of heterogeneous Schrock-type Mo and W oxide metathesis catalysts: A quantum thermochemical study
|
Ghashghaee, Mohammad |
|
|
155 |
C |
p. 197-208 |
artikel |
30 |
Interface relationship between TiN and Ti substrate by first-principles calculation
|
Rao, Lixiang |
|
|
155 |
C |
p. 36-47 |
artikel |
31 |
Lattice thermal conductivity and bandgap engineering of a three-dimensional sp 2 -hybridized Dirac carbon material: HS-C48
|
Fu, Weida |
|
|
155 |
C |
p. 293-297 |
artikel |
32 |
Local atomic environment and shear banding in metallic glasses
|
Tercini, Marcela |
|
|
155 |
C |
p. 129-135 |
artikel |
33 |
Machine leaning aided study of sintered density in Cu-Al alloy
|
Deng, Zhenghua |
|
|
155 |
C |
p. 48-54 |
artikel |
34 |
Microstructure evolution under isothermal and continuous cooling conditions via a combined multiphase field and nucleation approach
|
Fu, Yao |
|
|
155 |
C |
p. 457-465 |
artikel |
35 |
Modelling discontinuous dynamic recrystallization using a quantitative multi-order-parameter phase-field method
|
Xiao, Namin |
|
|
155 |
C |
p. 298-311 |
artikel |
36 |
Modelling texture dependent grain growth by 2D Potts model simulations: A detailed analysis
|
Zöllner, D. |
|
|
155 |
C |
p. 180-196 |
artikel |
37 |
Morphology evolution and defect distribution in irradiated graphite from molecular dynamics
|
Liu, Juan |
|
|
155 |
C |
p. 246-255 |
artikel |
38 |
Multiscale concurrent topology optimization for cellular structures with multiple microstructures based on ordered SIMP interpolation
|
Zhang, Yan |
|
|
155 |
C |
p. 74-91 |
artikel |
39 |
Multiscale dynamic transition of 2D metallic materials using the boundary element method
|
Alvarez, Juan E. |
|
|
155 |
C |
p. 383-392 |
artikel |
40 |
New mechanisms of helical dislocation formation via the pinch-off process near a nano-inhomogeneity
|
Cui, Yi |
|
|
155 |
C |
p. 400-409 |
artikel |
41 |
Numerical Benchmark of Phase-Field Simulations with Elastic Strains: Precipitation in the Presence of Chemo-Mechanical Coupling
|
Darvishi Kamachali, Reza |
|
|
155 |
C |
p. 541-553 |
artikel |
42 |
Numerical modelling of shear hysteresis of entangled cross-linked carbon fibres intended for core material
|
Chatti, Fadhel |
|
|
155 |
C |
p. 350-363 |
artikel |
43 |
Optoelectronic properties of aluminum bismuth antimony ternary alloys for optical telecommunication applications: First principles calculation
|
Benchehima, Miloud |
|
|
155 |
C |
p. 224-234 |
artikel |
44 |
Oxygen vacancy induced strong anisotropy of the thermoelectric properties of strontium barium niobate
|
Li, Yi |
|
|
155 |
C |
p. 393-399 |
artikel |
45 |
Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres
|
Ganesan, H. |
|
|
155 |
C |
p. 439-449 |
artikel |
46 |
Phase field modeling of crack propagation under combined shear and tensile loading with hybrid formulation
|
Jeong, Heeyeong |
|
|
155 |
C |
p. 483-492 |
artikel |
47 |
Predicting a two-dimensional P2S3 monolayer: A global minimum structure
|
Xiao, Hang |
|
|
155 |
C |
p. 288-292 |
artikel |
48 |
Predictions for structural stability and electronic evolution in pressure-induced overdoped YBa2Cu3O7
|
Cao, Jin-Jin |
|
|
155 |
C |
p. 416-423 |
artikel |
49 |
Pressure effect on the electronic structure and thermoelectric properties of α-MgAgSb
|
Li, Jingyu |
|
|
155 |
C |
p. 450-456 |
artikel |
50 |
Size-dependent stability of stacking fault tetrahedron in coherent twin boundary bicrystal: Comparisons among Al, Ni, Cu and Ag
|
Wu, Lianping |
|
|
155 |
C |
p. 256-265 |
artikel |
51 |
Strengthening mechanisms in nanoporous metallic glasses
|
Zhou, Xiaoling |
|
|
155 |
C |
p. 151-158 |
artikel |
52 |
Structural and mechanical properties of homogeneous solid-liquid interface of Al modelled with COMB3 potential
|
Yan, R. |
|
|
155 |
C |
p. 136-143 |
artikel |
53 |
Structure, electronic and optical properties of bilayer anatase nanoribbons
|
Vorontsov, Alexander V. |
|
|
155 |
C |
p. 266-281 |
artikel |
54 |
The effect of crystal orientation on shock loading of single crystal energetic materials
|
Grilli, Nicolò |
|
|
155 |
C |
p. 235-245 |
artikel |
55 |
The effect of molecular weight of polymers grafted in two-dimensional filler on crystallization behaviors studied by dynamic Monte Carlo simulations
|
Ming, Yongqiang |
|
|
155 |
C |
p. 144-150 |
artikel |
56 |
The effects of subsurface Ov and Tiint of anatase (1 0 1) surface on CO2 conversion: A first-principles study
|
Yin, Wen-Jin |
|
|
155 |
C |
p. 424-430 |
artikel |
57 |
Thermal-pressure effects on energy state of metallic glass Cu50Zr50
|
Wang, Mingzi |
|
|
155 |
C |
p. 493-498 |
artikel |
58 |
Thermal properties of fcc titanium and aluminum thin films
|
Dolgusheva, E.B. |
|
|
155 |
C |
p. 55-62 |
artikel |
59 |
The role of hydrogen bonding in interaction energy at the interface of conductive polymers and modified graphene-based nanosheets: A reactive molecular dynamics study
|
Pishehvarz, Giti |
|
|
155 |
C |
p. 499-523 |
artikel |
60 |
Three-dimensional pentagonal silicon: Stability and properties
|
Cheng, Jinqian |
|
|
155 |
C |
p. 373-377 |
artikel |
61 |
Two-way design of alloys for advanced ultra supercritical plants based on machine learning
|
Hu, Xiaobing |
|
|
155 |
C |
p. 331-339 |
artikel |
62 |
Unusual vortex-like atomic motion observed for viscoelasticity in metallic glass
|
Liu, X.D. |
|
|
155 |
C |
p. 104-111 |
artikel |
63 |
Velocity time correlation function of a rouse chain
|
Wong, Chi Pui Jeremy |
|
|
155 |
C |
p. 320-324 |
artikel |