| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of structural, elastic and thermal properties of TiCr2 and (Ti,Mg)(Mg,Cr)2 Laves phases
|
Sari, A.
|
|
2015
|
96 |
PA |
p. 348-353
|
artikel
|
| 2 |
Ab initio modeling of wall structure and shape in perovskite-based nanotubes
|
Bandura, Andrei V.
|
|
2015
|
96 |
PA |
p. 124-133
|
artikel
|
| 3 |
Ab-initio study of the structure and thermodynamic properties of Ti–Si–N at external pressure
|
Tan, Xin
|
|
2015
|
96 |
PA |
p. 33-38
|
artikel
|
| 4 |
A first principles molecular dynamics study of the relationship between atomic structure and elastic properties of Mg–Zn–Ca amorphous alloys
|
Mahjoub, R.
|
|
2015
|
96 |
PA |
p. 246-255
|
artikel
|
| 5 |
A multi-scale computational model using Generalized Method of Cells (GMC) homogenization for multi-phase single crystal metals
|
Ghorbani Moghaddam, M.
|
|
2015
|
96 |
PA |
p. 44-55
|
artikel
|
| 6 |
Analytical intrinsic electromechanical properties of ferroelectric ceramics under the saturated and unsaturated poling states
|
Hou, Jiankun
|
|
2015
|
96 |
PA |
p. 327-335
|
artikel
|
| 7 |
An efficient RVE formulation for the analysis of the elastic properties of spherical nanoparticle reinforced polymers
|
Pontefisso, Alessandro
|
|
2015
|
96 |
PA |
p. 319-326
|
artikel
|
| 8 |
An interfacial debonding-induced damage model for graphite nanoplatelet polymer composites
|
Safaei, M.
|
|
2015
|
96 |
PA |
p. 191-199
|
artikel
|
| 9 |
An interlayer expansion model for counterion-intercalated montmorillonite from first-principles calculations
|
Shi, Jing
|
|
2015
|
96 |
PA |
p. 134-139
|
artikel
|
| 10 |
Arithmetic extraction of elastic constants of cubic crystals from first-principles calculations of stress
|
Liu, Wei
|
|
2015
|
96 |
PA |
p. 117-123
|
artikel
|
| 11 |
Atomistic tight-binding theory in CdSe/ZnSe wurtzite core/shell nanocrystals
|
Sukkabot, Worasak
|
|
2015
|
96 |
PA |
p. 336-341
|
artikel
|
| 12 |
Computational design of novel carbon enriched Si1− x C x ceramics: A molecular dynamics simulation study
|
Adnan, Ashfaq
|
|
2015
|
96 |
PA |
p. 354-359
|
artikel
|
| 13 |
Corrigendum to: “Effect of Ni solute on grain boundary diffusivity and structure of βSn” [Comput. Mater. Sci. 92 (2014) 1–7]
|
Lee, Yongchang
|
|
2015
|
96 |
PA |
p. 379
|
artikel
|
| 14 |
Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N
|
Rezaei Sani, Seyed Mojtaba
|
|
2015
|
96 |
PA |
p. 39-43
|
artikel
|
| 15 |
Developing a full range S–N curve and estimating cumulative fatigue damage of steel elements
|
Bandara, Chaminda S.
|
|
2015
|
96 |
PA |
p. 96-101
|
artikel
|
| 16 |
DFT investigations of silicane/graphane conformers
|
Drissi, L.B.
|
|
2015
|
96 |
PA |
p. 165-170
|
artikel
|
| 17 |
DFT studies on Pt3M (M=Pt, Ni, Mo, Ru, Pd, Rh) clusters for CO oxidation
|
Lian, Xin
|
|
2015
|
96 |
PA |
p. 237-245
|
artikel
|
| 18 |
Discrete element modelling of flexible fibre packing
|
Langston, Paul
|
|
2015
|
96 |
PA |
p. 108-116
|
artikel
|
| 19 |
Effective transport properties of 3D multi-component microstructures with interface resistance
|
Roussel, Denis
|
|
2015
|
96 |
PA |
p. 277-283
|
artikel
|
| 20 |
Effect of structural defects on the hydrogen adsorption in promising nanostructures
|
Devi, N.R.
|
|
2015
|
96 |
PA |
p. 284-289
|
artikel
|
| 21 |
Effects of rare-earth on the cohesion of Ni Σ5 (012) grain boundary from first-principles calculations
|
Liu, Wenguan
|
|
2015
|
96 |
PA |
p. 374-378
|
artikel
|
| 22 |
Elastic, electronic, lattice dynamical properties and electron–phonon interaction in the ternary superconductors Ba(GaGe) and Ba(GaSi)
|
Parlak, Cihan
|
|
2015
|
96 |
PA |
p. 360-364
|
artikel
|
| 23 |
Electronic and dielectric properties of Ruddlesden–Popper type and Magnéli type SrTiO3
|
Guan, Li
|
|
2015
|
96 |
PA |
p. 223-228
|
artikel
|
| 24 |
Electronic structures of double-walled armchair SiC nanotube under transverse electric fields
|
Song, Jiuxu
|
|
2015
|
96 |
PA |
p. 28-32
|
artikel
|
| 25 |
Evaluation of mechanical characteristics of nano modified epoxy based polymers using molecular dynamics
|
Sindu, B.S.
|
|
2015
|
96 |
PA |
p. 146-158
|
artikel
|
| 26 |
First-principles investigation on Cu/ZnO catalyst precursor: Energetic, structural and electronic properties of Zn-doped Cu2(OH)2CO3
|
Li, Jiao
|
|
2015
|
96 |
PA |
p. 1-9
|
artikel
|
| 27 |
First-principles study of native defects in LiTi2O4
|
Duan, Huan
|
|
2015
|
96 |
PA |
p. 263-267
|
artikel
|
| 28 |
First-principles study of Si3N2
|
Manyali, George S.
|
|
2015
|
96 |
PA |
p. 140-145
|
artikel
|
| 29 |
First-principles study of structural, elastic, electronic and thermodynamic properties of topological insulator Sb2Te3 under pressure
|
Zhang, Huaiyong
|
|
2015
|
96 |
PA |
p. 342-347
|
artikel
|
| 30 |
First-principles study on the interfacial magnetic and electronic properties of Fe4N(001)/Si and Fe4N(111)/graphene bilayers
|
Feng, Nan
|
|
2015
|
96 |
PA |
p. 256-262
|
artikel
|
| 31 |
First-principle study of stacking fault energy for ZnSe single crystal
|
Liu, Cuixia
|
|
2015
|
96 |
PA |
p. 81-84
|
artikel
|
| 32 |
Formation of carbon nanoscrolls from graphene nanoribbons: A molecular dynamics study
|
Wang, Y.
|
|
2015
|
96 |
PA |
p. 300-305
|
artikel
|
| 33 |
Gradient copolymers of thiophene and pyrrole for photovoltaics
|
Williams, Ben M.
|
|
2015
|
96 |
PA |
p. 69-71
|
artikel
|
| 34 |
IFC
|
|
|
2015
|
96 |
PA |
p. IFC
|
artikel
|
| 35 |
Investigation of the local structural rearrangement of Mg67Zn28Ca5 bulk metallic glasses during tensile deformation: A molecular dynamics study
|
Ju, Shin-Pon
|
|
2015
|
96 |
PA |
p. 56-62
|
artikel
|
| 36 |
Mechanical properties of graphene nanoribbons with disordered edges
|
Tabarraei, Alireza
|
|
2015
|
96 |
PA |
p. 10-19
|
artikel
|
| 37 |
Micromechanical modelling of nanocrystalline and ultrafine grained metals: A short overview
|
Mishnaevsky Jr., Leon
|
|
2015
|
96 |
PA |
p. 365-373
|
artikel
|
| 38 |
Micromechanical simulation of grain boundary cavitation in copper considering non-proportional loading
|
Ozhoga-Maslovskaja, Oksana
|
|
2015
|
96 |
PA |
p. 178-184
|
artikel
|
| 39 |
Modelling the microstructure of martensitic steels
|
Rahnama, A.
|
|
2015
|
96 |
PA |
p. 102-107
|
artikel
|
| 40 |
Modelling the role of slips and twins in magnesium alloys under cyclic shear
|
Wang, H.
|
|
2015
|
96 |
PA |
p. 214-218
|
artikel
|
| 41 |
Numerical analysis of the influence of number of grains, FE mesh density and friction coefficient on representativeness aspects of the polycrystalline digital material representation – Plane strain deformation case study
|
Szyndler, Joanna
|
|
2015
|
96 |
PA |
p. 200-213
|
artikel
|
| 42 |
Numerical predictions of the mechanical properties of NT-ZnOw reinforced composites
|
Rong, Ji-Li
|
|
2015
|
96 |
PA |
p. 185-190
|
artikel
|
| 43 |
Phase stability of N substituted Li2 − x FeSiO4 electrode material: DFT calculations
|
Zhu, Lin
|
|
2015
|
96 |
PA |
p. 290-294
|
artikel
|
| 44 |
Polar and nonpolar structures of BiCrO3 from first-principles calculations
|
Ding, Jun
|
|
2015
|
96 |
PA |
p. 219-222
|
artikel
|
| 45 |
Room temperature multiferroism in CaTcO3 by interface engineering
|
Wang, Hongwei
|
|
2015
|
96 |
PA |
p. 171-177
|
artikel
|
| 46 |
Simulation study on the influence of distribution of temperature, gas flow rate and gas component on SiC nanowires grew in self-designed CVD reaction chamber
|
Li, Zhenjiang
|
|
2015
|
96 |
PA |
p. 63-68
|
artikel
|
| 47 |
Special quasirandom structures of alon
|
Scott Weingarten, N.
|
|
2015
|
96 |
PA |
p. 312-318
|
artikel
|
| 48 |
Stability of binary and ternary M23C6 carbides from first principles
|
Medvedeva, N.I.
|
|
2015
|
96 |
PA |
p. 159-164
|
artikel
|
| 49 |
Structural, elastic, thermodynamic, electronic properties and phase transition in half-Heusler alloy NiVSb at high pressures
|
Gu, Jian-Bing
|
|
2015
|
96 |
PA |
p. 72-80
|
artikel
|
| 50 |
Tensile response of bi-crystalline Si nanofilms with twist and tilt grain boundaries
|
Lin, Pamela
|
|
2015
|
96 |
PA |
p. 295-299
|
artikel
|
| 51 |
Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods
|
Qi, Qiaofang
|
|
2015
|
96 |
PA |
p. 268-276
|
artikel
|
| 52 |
Thermodynamics of atomic ordering in Cu–Zn–Al: A Monte Carlo study
|
Lanzini, Fernando
|
|
2015
|
96 |
PA |
p. 20-27
|
artikel
|
| 53 |
Thermoelectric properties of Nowotny–Juza NaZnX (X=P, As and Sb) compounds
|
Reshak, A.H.
|
|
2015
|
96 |
PA |
p. 90-95
|
artikel
|
| 54 |
The theoretical investigation of the β-crystobalite structure under the effect of electric field
|
Li, Huiran
|
|
2015
|
96 |
PA |
p. 306-311
|
artikel
|
| 55 |
Using a scalar parameter to trace dislocation evolution in atomistic modeling
|
Yang, J.B.
|
|
2015
|
96 |
PA |
p. 85-89
|
artikel
|
| 56 |
Vibrational contribution to thermal transport in liquid cooper: Equilibrium molecular dynamics study
|
Evteev, Alexander V.
|
|
2015
|
96 |
PA |
p. 229-236
|
artikel
|
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