| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of pressure-induced phase transition, band gaps and X-ray photoemission valence band spectra of YVO4
|
Werwiński, M.
|
|
2016
|
117 |
C |
p. 98-102
|
artikel
|
| 2 |
A density functional theory investigation of the reactions of Fe and FeO2 with O2
|
Nakazawa, T.
|
|
2016
|
117 |
C |
p. 455-467
|
artikel
|
| 3 |
A molecular characterization of hyper-cross-linked hybrid polyPOSS-imide networks
|
Neyertz, Sylvie
|
|
2016
|
117 |
C |
p. 338-353
|
artikel
|
| 4 |
A molecular dynamics study of heterogeneous nucleation at grain boundaries during solid-state phase transformations
|
Song, H.
|
|
2016
|
117 |
C |
p. 151-163
|
artikel
|
| 5 |
Analysis of removal region in nanoscale metal film processed by ultrafast-pulse laser
|
Chen, B.C.
|
|
2016
|
117 |
C |
p. 590-595
|
artikel
|
| 6 |
An atomistic study of the correlation between the migration of planar and curved grain boundaries
|
Wicaksono, A.T.
|
|
2016
|
117 |
C |
p. 397-405
|
artikel
|
| 7 |
An optimization procedure for spot-welded structures based on SIMP method
|
Long, Haiqiang
|
|
2016
|
117 |
C |
p. 602-607
|
artikel
|
| 8 |
Application of machine learning methods for the prediction of crystal system of cathode materials in lithium-ion batteries
|
Attarian Shandiz, M.
|
|
2016
|
117 |
C |
p. 270-278
|
artikel
|
| 9 |
A study of mechanical properties of multi-layered graphene using modified Nosé–Hoover based molecular dynamics
|
Yu, Ching-Feng
|
|
2016
|
117 |
C |
p. 127-138
|
artikel
|
| 10 |
Atomistic investigation of the effect of nano-structural shape on the mechanical response of SiC/Cu interpenetrating phase nanocomposites
|
Shadlou, S.
|
|
2016
|
117 |
C |
p. 428-436
|
artikel
|
| 11 |
Atomistic investigation of the intrinsic toughening mechanism in metallic glass
|
Zhou, Xiaoling
|
|
2016
|
117 |
C |
p. 188-194
|
artikel
|
| 12 |
Buckling effects on electronic and optical properties of BeO monolayer: First principles study
|
Jalilian, Jaafar
|
|
2016
|
117 |
C |
p. 120-126
|
artikel
|
| 13 |
Comparative study of H2 adsorption on B24N24, Al24N24 and B12Al12N24 clusters
|
Ma, Zhanlin
|
|
2016
|
117 |
C |
p. 71-75
|
artikel
|
| 14 |
Design of a micro machine tool with double-toggle mechanisms
|
Wang, Shih-Ming
|
|
2016
|
117 |
C |
p. 549-555
|
artikel
|
| 15 |
Distinctive nanofriction of graphene coated copper foil
|
Wang, Weihui
|
|
2016
|
117 |
C |
p. 406-411
|
artikel
|
| 16 |
Effectiveness of the random sequential absorption algorithm in the analysis of volume elements with nanoplatelets
|
Pontefisso, Alessandro
|
|
2016
|
117 |
C |
p. 511-517
|
artikel
|
| 17 |
Effect of edge-hydrogen passivation and nanometer size on the electronic properties of phagraphene ribbons
|
Liu, Yunjin
|
|
2016
|
117 |
C |
p. 279-285
|
artikel
|
| 18 |
Effect of grain boundary segregation on the deformation mechanisms and mechanical properties of nanocrystalline binary aluminum alloys
|
Babicheva, Rita I.
|
|
2016
|
117 |
C |
p. 445-454
|
artikel
|
| 19 |
Effect of holding time on microstructure and mechanical properties of resistance spot welds between low carbon steel and advanced high strength steel
|
Long, Haiqiang
|
|
2016
|
117 |
C |
p. 556-563
|
artikel
|
| 20 |
Effect of strain on the magnetic states of transition-metal atoms doped monolayer WS2
|
Yang, Yi
|
|
2016
|
117 |
C |
p. 354-360
|
artikel
|
| 21 |
Effects of chirality and number of graphene layers on the mechanical properties of graphene-embedded copper nanocomposites
|
Duan, Ke
|
|
2016
|
117 |
C |
p. 294-299
|
artikel
|
| 22 |
Effects of strain and interface on magnetic anisotropy of FeCo/FePt: A first principles study
|
Khan, Imran
|
|
2016
|
117 |
C |
p. 527-533
|
artikel
|
| 23 |
Effects of transition metal (TM=Zr, Hf, Nb, Ta, Mo, W) elements on the shear properties of TMB2s: A first-principles investigation
|
Dai, Fu-Zhi
|
|
2016
|
117 |
C |
p. 266-269
|
artikel
|
| 24 |
Effects of uniaxial strain on stability and structural evolution of vacancy clusters in copper
|
Ye, Fei
|
|
2016
|
117 |
C |
p. 361-369
|
artikel
|
| 25 |
Electronic structure and reactivity of (TiO2) n (n =1–10) nano-clusters: Global and local hardness based DFT study
|
Arab, Ali
|
|
2016
|
117 |
C |
p. 90-97
|
artikel
|
| 26 |
Ferromagnetism in zigzag GaN nanoribbons with tunable half-metallic gap
|
Luo, Kai-Wu
|
|
2016
|
117 |
C |
p. 300-305
|
artikel
|
| 27 |
Finite element simulation and experimental investigation of residual stresses in selective laser melted Ti–Ni shape memory alloy
|
Gu, Dongdong
|
|
2016
|
117 |
C |
p. 221-232
|
artikel
|
| 28 |
First principle calculations of the adsorption of molecular H2 in Cu[Fe(CN)5NO] metal nitroprussides. An insight into H2–host interactions
|
Morera-Boado, C.
|
|
2016
|
117 |
C |
p. 54-64
|
artikel
|
| 29 |
First-principles modeling of energetic and mechanical properties of Ni–Cr, Ni–Re and Cr–Re random alloys
|
Breidi, A.
|
|
2016
|
117 |
C |
p. 45-53
|
artikel
|
| 30 |
First-principles study on the adsorption and dissociation of H2 molecules on Be(0001) surfaces
|
Sun, Qingqiang
|
|
2016
|
117 |
C |
p. 251-258
|
artikel
|
| 31 |
Generalization of first-principles thermodynamic model: Application to hexagonal close-packed ε -Fe3N
|
Bakkedal, Morten B.
|
|
2016
|
117 |
C |
p. 83-89
|
artikel
|
| 32 |
Helical wrapping of long-chained polyacetylene (PA) on metallic nanowires: MD simulation insights
|
Xue, Qingzhong
|
|
2016
|
117 |
C |
p. 103-109
|
artikel
|
| 33 |
High efficiency textured silicon solar cells based on an ITO/TiO2/Si MOS structure and biasing effects
|
Ho, Wen-Jeng
|
|
2016
|
117 |
C |
p. 596-601
|
artikel
|
| 34 |
H2S adsorption on graphene in the presence of sulfur: A density functional theory study
|
Faye, Omar
|
|
2016
|
117 |
C |
p. 110-119
|
artikel
|
| 35 |
Hybrid functional study of structural, electronic, bonding and optical properties of CdSiP2
|
Xiao, Jianping
|
|
2016
|
117 |
C |
p. 472-477
|
artikel
|
| 36 |
IFC
|
|
|
2016
|
117 |
C |
p. IFC
|
artikel
|
| 37 |
Influence of interlayer cations on structural properties of montmorillonites: A dispersion-corrected density functional theory study
|
Li, Haitao
|
|
2016
|
117 |
C |
p. 33-39
|
artikel
|
| 38 |
Influence of surface roughening on indentation behavior of thin copper coatings using a molecular dynamics approach
|
Hansson, P.
|
|
2016
|
117 |
C |
p. 233-239
|
artikel
|
| 39 |
Inverse simulated annealing: Improvements and application to amorphous InSb
|
Los, Jan H.
|
|
2016
|
117 |
C |
p. 7-14
|
artikel
|
| 40 |
Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations
|
Lim, Hojun
|
|
2016
|
117 |
C |
p. 437-444
|
artikel
|
| 41 |
Is the error on first-principles volume predictions absolute or relative?
|
Lejaeghere, Kurt
|
|
2016
|
117 |
C |
p. 390-396
|
artikel
|
| 42 |
Large-scale phase-field simulations of ternary eutectic microstructure evolution
|
Steinmetz, Philipp
|
|
2016
|
117 |
C |
p. 205-214
|
artikel
|
| 43 |
Magnetic properties in Fe-doped SnS2: Density functional calculations
|
Sun, Lili
|
|
2016
|
117 |
C |
p. 489-495
|
artikel
|
| 44 |
Manipulation of fluorescence from Gaussian distributed atoms in a coherent photonic-band-gap reservoir
|
Cheng, Szu-Cheng
|
|
2016
|
117 |
C |
p. 564-572
|
artikel
|
| 45 |
Mechanical properties and microstructural of biomedical Ti-based bulk metallic glass with Sn addition
|
Chen, Tao-Hsing
|
|
2016
|
117 |
C |
p. 584-589
|
artikel
|
| 46 |
Molecular dynamics simulation of temperature effect on tensile mechanical properties of single crystal tungsten nanowire
|
Ma, Bin
|
|
2016
|
117 |
C |
p. 40-44
|
artikel
|
| 47 |
Molecular dynamics simulations of crack growth behavior in Al in the presence of vacancies
|
Chandra, S.
|
|
2016
|
117 |
C |
p. 518-526
|
artikel
|
| 48 |
Molecular dynamics study on nanometric cutting of ion implanted silicon
|
Wang, Jinshi
|
|
2016
|
117 |
C |
p. 240-250
|
artikel
|
| 49 |
Multi-scale fatigue model and image-based simulation of collective short cracks evolution process
|
Sun, Bin
|
|
2016
|
117 |
C |
p. 24-32
|
artikel
|
| 50 |
Multiscale modeling of the effect of waviness and agglomeration of CNTs on the elastic properties of nanocomposites
|
Alian, A.R.
|
|
2016
|
117 |
C |
p. 195-204
|
artikel
|
| 51 |
Nanoscale properties of PbZrO3 nanowires: Phase competition for enhanced energy conversion and storage
|
Herchig, R.
|
|
2016
|
117 |
C |
p. 468-471
|
artikel
|
| 52 |
New ternary nanolaminated carbide Mo2Ga2C: A first-principles comparison with the MAX phase counterpart Mo2GaC
|
Hadi, M.A.
|
|
2016
|
117 |
C |
p. 422-427
|
artikel
|
| 53 |
Novel high-pressure phases of AlN: A first-principles study
|
Liu, Chao
|
|
2016
|
117 |
C |
p. 496-501
|
artikel
|
| 54 |
Optimal design and system characterization of graphene sheets in a micro/nano actuator
|
Lai, Hsin-Yi
|
|
2016
|
117 |
C |
p. 478-488
|
artikel
|
| 55 |
Phase-field simulation of austenite growth behavior: Insights into the austenite memory phenomenon
|
Song, Pengcheng
|
|
2016
|
117 |
C |
p. 139-150
|
artikel
|
| 56 |
Phase field simulation of dendrite growth in binary Ni–Cu alloy under the applied temperature gradient
|
Wu, X.H.
|
|
2016
|
117 |
C |
p. 286-293
|
artikel
|
| 57 |
Prediction of potential candidates for dispersion strengthening materials in Ni based alloys
|
Hong, Ki-Ha
|
|
2016
|
117 |
C |
p. 215-220
|
artikel
|
| 58 |
Probability-based threshold displacement energies for oxygen and silicon atoms in α-quartz silica
|
Cowen, Benjamin J.
|
|
2016
|
117 |
C |
p. 164-171
|
artikel
|
| 59 |
Quantifying the particle size and interphase percolation effects on the elastic performance of semi-crystalline nanocomposites
|
Zamani Zakaria, Afshin
|
|
2016
|
117 |
C |
p. 502-510
|
artikel
|
| 60 |
Reconstruction of co-continuous ceramic composites three-dimensional microstructure solid model by generation-based optimization method
|
Wang, Qingxiang
|
|
2016
|
117 |
C |
p. 534-543
|
artikel
|
| 61 |
Role of grain boundary on the sources of size effects
|
Voyiadjis, George Z.
|
|
2016
|
117 |
C |
p. 315-329
|
artikel
|
| 62 |
Site preference of the alloying additions on mechanical and electronic properties of B2 ZrRu-based compounds
|
Liu, Shuai
|
|
2016
|
117 |
C |
p. 1-6
|
artikel
|
| 63 |
Spalling behaviors of Pb induced by ramp-wave-loading: Effects of the loading rise time studied by molecular dynamics simulations
|
Xiang, Meizhen
|
|
2016
|
117 |
C |
p. 370-379
|
artikel
|
| 64 |
Structural and response properties of all BaTiO3 phases from density functional theory using the projector-augmented-wave methods
|
Goh, E.S.
|
|
2016
|
117 |
C |
p. 306-314
|
artikel
|
| 65 |
Structural transition region of liquid Mg–Li alloys
|
Wang, Jin
|
|
2016
|
117 |
C |
p. 259-265
|
artikel
|
| 66 |
Structure and gap opening of graphene with Fe doped bridged trivacancy
|
Hu, Xielong
|
|
2016
|
117 |
C |
p. 65-70
|
artikel
|
| 67 |
Structures and electronic properties of vacancies at the interface of hybrid graphene/hexagonal boron nitride sheet
|
Ding, Ning
|
|
2016
|
117 |
C |
p. 172-179
|
artikel
|
| 68 |
Temperature effect on kinetic friction characteristics of Cu substrate composed by single crystal and polycrystalline structures
|
Chien, Chi-Hui
|
|
2016
|
117 |
C |
p. 412-421
|
artikel
|
| 69 |
The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study
|
Atanelov, J.
|
|
2016
|
117 |
C |
p. 380-389
|
artikel
|
| 70 |
The electronic structure of organic–inorganic hybrid perovskite solar cell: A first-principles analysis
|
Pan, Yu-Yun
|
|
2016
|
117 |
C |
p. 573-578
|
artikel
|
| 71 |
The microstructure evolution of U1 and U2 nanowires constrained in Al matrix
|
Xiao, Shidi
|
|
2016
|
117 |
C |
p. 180-187
|
artikel
|
| 72 |
Theoretical investigation of structural, electronic and magnetic properties for Pt n Ni55 − n (n =0–55) nanoparticles
|
Wang, Lixia
|
|
2016
|
117 |
C |
p. 15-23
|
artikel
|
| 73 |
Topological electronic states of bismuth selenide thin films upon structural surface defects
|
Hermanowicz, M.
|
|
2016
|
117 |
C |
p. 76-82
|
artikel
|
| 74 |
Tunable surface-plasmon-polariton-like modes based on graphene metamaterials in terahertz region
|
Yao, Zehan
|
|
2016
|
117 |
C |
p. 544-548
|
artikel
|
| 75 |
Understanding the mechanical behavior of fiber/matrix interfaces during push-in tests by means of finite element simulations and a cohesive zone model
|
Esqué-de los Ojos, D.
|
|
2016
|
117 |
C |
p. 330-337
|
artikel
|
| 76 |
Vortex and trapped states of microcavity-polariton condensates in a harmonic trap
|
Chen, Ting-Wei
|
|
2016
|
117 |
C |
p. 579-583
|
artikel
|
Tijdschrift beschrijving