| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate semiempirical analytical formulas for spontaneous polarization by crystallographic parameters of SrTiO3-BaTiO3 system by ab initio calculations
|
Watanabe, Yukio
|
|
2019
|
158 |
C |
p. 315-323
|
artikel
|
| 2 |
A comprehensive computational study of adatom diffusion on the aluminum (1 0 0) surface
|
Chapman, J.
|
|
2019
|
158 |
C |
p. 353-358
|
artikel
|
| 3 |
A fast algorithm for material image sequential stitching
|
Ma, Boyuan
|
|
2019
|
158 |
C |
p. 1-13
|
artikel
|
| 4 |
Application of materials informatics to vapor-grown carbon nanofiber/vinyl ester nanocomposites through self-organizing maps and clustering techniques
|
Abuomar, O.
|
|
2019
|
158 |
C |
p. 98-109
|
artikel
|
| 5 |
Assessment of discrete breathers in the metallic hydrides
|
Dubinko, Vladimir
|
|
2019
|
158 |
C |
p. 389-397
|
artikel
|
| 6 |
Atomistic investigation of hydrogen embrittlement effect for symmetric and asymmetric grain boundary structures of bcc Fe
|
Fu, Lei
|
|
2019
|
158 |
C |
p. 58-64
|
artikel
|
| 7 |
Atomistic scale fracture behavior of the bcc iron with {1 1 0} crack under dynamic rectangular loading rate
|
Zhao, Zhifu
|
|
2019
|
158 |
C |
p. 178-191
|
artikel
|
| 8 |
Atomistic simulation for strain effects on threshold displacement energies in refractory metals
|
Banisalman, Mosab Jaser
|
|
2019
|
158 |
C |
p. 346-352
|
artikel
|
| 9 |
Atomistic understanding of helium behaviors at grain boundaries in vanadium
|
Yang, Yaochun
|
|
2019
|
158 |
C |
p. 296-306
|
artikel
|
| 10 |
Computational prediction of high thermoelectric performance in p-type CuGaTe2 with a first-principles study
|
Chen, Chaoran
|
|
2019
|
158 |
C |
p. 369-375
|
artikel
|
| 11 |
Computational screening of bulk materials with intrinsic intermediate band
|
Baquião, Douglas J.R.
|
|
2019
|
158 |
C |
p. 382-388
|
artikel
|
| 12 |
Confined tetra-silicene obtained by cooling from the melt
|
Hoang, Vo Van
|
|
2019
|
158 |
C |
p. 406-413
|
artikel
|
| 13 |
Corrigendum to “Ab initio study of Ti–C precipitates in hcp titanium: Formation energies, elastic moduli and theoretical diffraction patterns” [Comput. Mater. Sci. 65 (2012) 434–441]
|
Aksyonov, D.A.
|
|
2019
|
158 |
C |
p. 479
|
artikel
|
| 14 |
DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale
|
Roters, F.
|
|
2019
|
158 |
C |
p. 420-478
|
artikel
|
| 15 |
Dendrite tip selection during isothermal free growth in multi-component alloys: Marginal stability theories and insights from phase-field simulations
|
Lahiri, Arka
|
|
2019
|
158 |
C |
p. 209-218
|
artikel
|
| 16 |
Density functional theory evaluation of cation-doped bismuth molybdenum oxide photocatalysts for nitrogen fixation
|
Yasin, Alhassan S.
|
|
2019
|
158 |
C |
p. 65-75
|
artikel
|
| 17 |
Editorial Board
|
|
|
2019
|
158 |
C |
p. ii
|
artikel
|
| 18 |
Effects of vacancies at Al(1 1 1)/6H-SiC(0001) interfaces on deformation behavior: A first-principle study
|
Wu, Qingjie
|
|
2019
|
158 |
C |
p. 110-116
|
artikel
|
| 19 |
Electron Transport Across Cu/Ta(O)/Ru(O)/Cu Interfaces in Advanced Vertical Interconnects
|
Lanzillo, Nicholas A.
|
|
2019
|
158 |
C |
p. 398-405
|
artikel
|
| 20 |
Electron transport in ladder-shaped graphene cuts
|
Mehri, Ali
|
|
2019
|
158 |
C |
p. 265-271
|
artikel
|
| 21 |
Evaluation of glass forming ability of Zr–Nb alloy systems through liquid fragility and Voronoi cluster analysis
|
Reddy, K. Vijay
|
|
2019
|
158 |
C |
p. 324-332
|
artikel
|
| 22 |
Exceptional behavior of anatase TiO2 nanotubes in axial loading: A molecular dynamics study of the effect of surface wrinkles
|
Zeydabadi-Nejad, Iman
|
|
2019
|
158 |
C |
p. 307-314
|
artikel
|
| 23 |
Exploring materials band structure space with unsupervised machine learning
|
Nuñez, Matias
|
|
2019
|
158 |
C |
p. 117-123
|
artikel
|
| 24 |
First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of uranium aluminides
|
Mei, Zhi-Gang
|
|
2019
|
158 |
C |
p. 26-31
|
artikel
|
| 25 |
First-principles study of structural, vibrational, and electronic properties of trigonally bonded II-IV-N2
|
Tang, Hong Ming
|
|
2019
|
158 |
C |
p. 88-97
|
artikel
|
| 26 |
Fractal-based analysis of the void microstructure of Bi2Sr2CaCu2Ox superconducting filaments and the caused anomalous thermal diffusion
|
Gou, Xiao-Fan
|
|
2019
|
158 |
C |
p. 219-227
|
artikel
|
| 27 |
Generalized stacking fault energies of Cr23C6 carbide: A first-principles study
|
Xia, Fangfang
|
|
2019
|
158 |
C |
p. 20-25
|
artikel
|
| 28 |
Integrated computational materials engineering for advanced materials: A brief review
|
Yi Wang, William
|
|
2019
|
158 |
C |
p. 42-48
|
artikel
|
| 29 |
Machine learning of ab-initio energy landscapes for crystal structure predictions
|
Honrao, Shreyas
|
|
2019
|
158 |
C |
p. 414-419
|
artikel
|
| 30 |
Magnetic properties of diluted magnetic semiconductors Li(Zn,TM)N with decoupled charge and spin doping (TM: V, Cr, Mn, Fe, Co and Ni)
|
Cui, Y.
|
|
2019
|
158 |
C |
p. 260-264
|
artikel
|
| 31 |
Micromechanical modeling of the effect of phase distribution topology on the plastic behavior of dual-phase steels
|
Hou, Yuliang
|
|
2019
|
158 |
C |
p. 243-254
|
artikel
|
| 32 |
Micro-mechanism of the effect of grain size and temperature on the mechanical properties of polycrystalline TiAl
|
Ding, Jun
|
|
2019
|
158 |
C |
p. 76-87
|
artikel
|
| 33 |
Modelling of differential scanning calorimetry heating curves for precipitation and dissolution in an Al-Mg-Si
|
Afshar, Mehran
|
|
2019
|
158 |
C |
p. 235-242
|
artikel
|
| 34 |
Molecular dynamics study of the tensile behaviors of Ti(0 0 0 1)/Ni(1 1 1) multilayered nanowires
|
Su, M.J.
|
|
2019
|
158 |
C |
p. 149-158
|
artikel
|
| 35 |
Multiscale numerical study on origin of magnetoelectric effect in view of localization of microstructural strain field for multiferroic composite materials
|
Uetsuji, Yasutomo
|
|
2019
|
158 |
C |
p. 159-169
|
artikel
|
| 36 |
Novel carbon-rich nitride C3N: A superhard phase in monoclinic symmetry
|
Li, Xiaozhen
|
|
2019
|
158 |
C |
p. 170-177
|
artikel
|
| 37 |
Novel high-pressure structure and superconductivity of titanium trisulfide
|
Zhong, Xin
|
|
2019
|
158 |
C |
p. 192-196
|
artikel
|
| 38 |
Numerical and experimental study on peritectic transition in TiAl-Nb alloys
|
Ding, Xianfei
|
|
2019
|
158 |
C |
p. 333-339
|
artikel
|
| 39 |
Phase-field simulation of non-isothermal phase separation in rapidly quenched Co-Cu melts
|
Krivilyov, M.
|
|
2019
|
158 |
C |
p. 289-295
|
artikel
|
| 40 |
Photophysical and photocatalytic properties of corrophyll and chlorophyll
|
Bevilacqua, Andressa C.
|
|
2019
|
158 |
C |
p. 228-234
|
artikel
|
| 41 |
Predicting pressure-stabilized alkali metal iridides: A−Ir (A = Rb, Cs)
|
Lotfi, Sogol
|
|
2019
|
158 |
C |
p. 124-129
|
artikel
|
| 42 |
Prediction of Li2B novel phases and superconductivity under varying pressures
|
Hao, Lingjuan
|
|
2019
|
158 |
C |
p. 255-259
|
artikel
|
| 43 |
Prediction of properties of silica nanoparticle/hydroxyapatite fiber reinforced Bis-GMA/TEGDMA composites using molecular dynamics
|
Sharma, Sumit
|
|
2019
|
158 |
C |
p. 32-41
|
artikel
|
| 44 |
Properties of β/ω phase interfaces in Ti and their implications on mechanical properties and ω morphology
|
Cao, Shuo
|
|
2019
|
158 |
C |
p. 49-57
|
artikel
|
| 45 |
Size effect on the thermal conductivity of octadecanoic acid: A molecular dynamics study
|
Feng, Yanhui
|
|
2019
|
158 |
C |
p. 14-19
|
artikel
|
| 46 |
Stacking effect on electronic, photocatalytic and optical properties: A comparison between bilayer and monolayer SnS
|
Zhang, Qiang
|
|
2019
|
158 |
C |
p. 272-281
|
artikel
|
| 47 |
Strain-induced transformation between vacancy voids and stacking fault tetrahedra in Cu
|
Xv, Hongbo
|
|
2019
|
158 |
C |
p. 359-368
|
artikel
|
| 48 |
Study of dendrite growth with natural convection in superalloy directional solidification via a multiphase-field-lattice Boltzmann model
|
Yang, Cong
|
|
2019
|
158 |
C |
p. 130-139
|
artikel
|
| 49 |
Tensile mechanical properties and fracture behavior of monolayer InSe under axial tension
|
Chang, Xu
|
|
2019
|
158 |
C |
p. 340-345
|
artikel
|
| 50 |
The hardness mechanism and bonding properties of CrN2: A first principle study
|
Liu, Yan
|
|
2019
|
158 |
C |
p. 282-288
|
artikel
|
| 51 |
The mechanism of photocatalyst and the effects of co-doping CeO2 on refractive index and reflectivity from DFT calculation
|
Xue, Yufei
|
|
2019
|
158 |
C |
p. 197-208
|
artikel
|
| 52 |
Thermo-mechanical properties of Ni-Mo solid solutions: A first-principles study
|
Zhao, Wenyue
|
|
2019
|
158 |
C |
p. 140-148
|
artikel
|
| 53 |
Valley polarization and biaxial strain dependent conductivity of WS2/SrRuO3(1 1 1) heterostructures
|
Ji, Yanli
|
|
2019
|
158 |
C |
p. 376-381
|
artikel
|
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