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                             68 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio study of lattice dynamics of CsH2PO4 and CsD2PO4 crystals Shchur, Ya.
 2016
 111 C p. 301-309
9 p.
 artikel
2 Ablation modeling of state of the art EPDM based elastomeric heat shielding materials for solid rocket motors Natali, Maurizio
 2016
 111 C p. 460-480
21 p.
 artikel
3 A computational study of long range surface-directed phase separation in polymer blends under a temperature gradient Tabatabaieyazdi, Mohammad
 2016
 111 C p. 387-394
8 p.
 artikel
4 Adsorption of bromine on Mg(0001) surface from first-principles calculations Zhou, Wen-Liu
 2016
 111 C p. 47-53
7 p.
 artikel
5 Affect of the graphene layers on the melting temperature of silicon by molecular dynamics simulations Sang, Le Van
 2016
 111 C p. 252-256
5 p.
 artikel
6 AiiDA: automated interactive infrastructure and database for computational science Pizzi, Giovanni
 2016
 111 C p. 218-230
13 p.
 artikel
7 Analysis of the effect of alloy elements on allotropic transformation in titanium alloys with the use of cohesive energy Lin, Cheng
 2016
 111 C p. 41-46
6 p.
 artikel
8 A nano converter from carbon nanotubes with multiple output signals Cai, Kun
 2016
 111 C p. 263-268
6 p.
 artikel
9 A noble 2-dimensional BN nano structure with tunable band gap by organic molecules Feng, Jian-Rui
 2016
 111 C p. 366-373
8 p.
 artikel
10 Atomistic simulation of size effects in single-crystalline metals of confined volumes during nanoindentation Yaghoobi, Mohammadreza
 2016
 111 C p. 64-73
10 p.
 artikel
11 Atomistic simulation of the step mobility at the Al–Si(111) crystal–melt interface using molecular dynamics Saidi, P.
 2016
 111 C p. 137-147
11 p.
 artikel
12 Atomistic study of crack growth behavior in crystalline Mg/amorphous Mg–Al nanocomposites Song, H.Y.
 2016
 111 C p. 125-130
6 p.
 artikel
13 Atomistic tight-binding computations in electronic structures and optical properties of type-II CdTe/CdSe core/shell nanocrystals Sukkabot, Worasak
 2016
 111 C p. 23-27
5 p.
 artikel
14 Bond-order reactive force fields for molecular dynamics simulations of crystalline silica Cowen, Benjamin J.
 2016
 111 C p. 269-276
8 p.
 artikel
15 Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors Tian, Fuyang
 2016
 111 C p. 350-358
9 p.
 artikel
16 Calculation of Valence Band Structure and Band Dispersion in Indium containing III–V Bismides by k⋅p method Samajdar, D.P.
 2016
 111 C p. 497-502
6 p.
 artikel
17 Comment on “Structural phase transition, electronic and elastic properties in TlX (X=N, P, As) compounds: Pressure-induced effects” [Comput. Mater. Sci. 50 (2010) 203–210] Daoud, Salah
 2016
 111 C p. 532-533
2 p.
 artikel
18 Comparison study of numerical methods for solving the Allen–Cahn equation Jeong, Darae
 2016
 111 C p. 131-136
6 p.
 artikel
19 Competing effects of interface anisotropy and isotropic driving force on the growth of steady-state shape in phase-field modeling Zhang, Li
 2016
 111 C p. 313-321
9 p.
 artikel
20 Computational and theoretical aspects of a grain-boundary model that accounts for grain misorientation and grain-boundary orientation Gottschalk, D.
 2016
 111 C p. 443-459
17 p.
 artikel
21 Critical stress for the bcc–hcp martensite nucleation in Ti–6.25at.%Ta and Ti–6.25at.%Nb alloys Ojha, A.
 2016
 111 C p. 157-162
6 p.
 artikel
22 Dislocation migration across coherent phase interfaces in SiGe superlattices Pluchino, Paula A.
 2016
 111 C p. 1-6
6 p.
 artikel
23 3D microstructural reconstruction of heterogeneous materials from 2D cross sections: A modified phase-recovery algorithm Hasanabadi, Ali
 2016
 111 C p. 107-115
9 p.
 artikel
24 Effects of A3+ cations on hydration in A2M3O12 family materials: A first-principles study Wu, Ming-Yi
 2016
 111 C p. 28-33
6 p.
 artikel
25 Electronic and optical properties of O -doped monolayer MoS 2 Kong, Long-Juan
 2016
 111 C p. 416-423
8 p.
 artikel
26 Electronic band structure and related properties of Rb2ZnCl4 crystals at different hydrostatic pressures Andriyevsky, B.
 2016
 111 C p. 257-262
6 p.
 artikel
27 Electronic properties of fluorinated silicon carbide nanowires Miranda, A.
 2016
 111 C p. 294-300
7 p.
 artikel
28 Finite element modelling of nonlinear piezoelectricity in wurtzite GaN/AlN quantum dots Jurczak, Grzegorz
 2016
 111 C p. 197-202
6 p.
 artikel
29 First-principles investigation of mechanical, thermodynamic and electronic properties of FeSn5 and CoSn5 phases Sun, Wenming
 2016
 111 C p. 175-180
6 p.
 artikel
30 First principles study of enhanced CO2 adsorption on MOF-253 by salt-insertion Wu, Yang
 2016
 111 C p. 79-85
7 p.
 artikel
31 First-principles study of NiAl alloyed with Co Cao, Yong
 2016
 111 C p. 34-40
7 p.
 artikel
32 First-principles study of the influence of doping elements on phase stability, crystal and electronic structure of Al2Cu (θ) phase Gu, Jianglong
 2016
 111 C p. 328-333
6 p.
 artikel
33 Force field for realistic molecular dynamics simulations of ZrO2 growth Houska, Jiri
 2016
 111 C p. 209-217
9 p.
 artikel
34 High sensitivity and fast response graphene oxide capacitive humidity sensor with computer-aided design Guo, Rui
 2016
 111 C p. 289-293
5 p.
 artikel
35 IFC 2016
 111 C p. IFC-
1 p.
 artikel
36 Impurity and alloying elements on grain surface in iron: Periodic dependence of binding energy on atomic number and influence on wear resistance Migal, Yuri F.
 2016
 111 C p. 503-512
10 p.
 artikel
37 Initial oxidation of Cr2Nb (111) surface: A density functional study Liu, Zeng-Hui
 2016
 111 C p. 7-11
5 p.
 artikel
38 In-plane thermal conductivity of graphene nanomesh: A molecular dynamics study Yarifard, M.
 2016
 111 C p. 247-251
5 p.
 artikel
39 Interatomic Fe-H potential for irradiation and embrittlement simulations Kuopanportti, Pekko
 2016
 111 C p. 525-531
7 p.
 artikel
40 Interfacial stability, electronic structure and bond characteristics of Pt3Zr(111)/Pt(111) interfaces: A first-principles study Pan, Y.
 2016
 111 C p. 74-78
5 p.
 artikel
41 Kinetic mechanism of effects of hydrogen addition on methane catalytic combustion over Pt(111) surface: A DFT study with cluster modeling Qi, Wenjie
 2016
 111 C p. 430-442
13 p.
 artikel
42 Lattice dynamics of bismuth-deficient BiFeO3 from first principles Wei, Lei
 2016
 111 C p. 374-379
6 p.
 artikel
43 Microscopic damage mechanisms of fibre reinforced composite laminates subjected to low velocity impact Yang, Lei
 2016
 111 C p. 148-156
9 p.
 artikel
44 Molecular dynamics simulation of diffusion and viscosity of liquid lithium fluoride Luo, Hui
 2016
 111 C p. 203-208
6 p.
 artikel
45 Molecular dynamics study of high-pressure alumina polymorphs with a tight-binding variable-charge model Salles, N.
 2016
 111 C p. 181-189
9 p.
 artikel
46 Multi-cycle and multi-scale cellular automata for hydration simulation (of Portland-cement) Brouwers, H.J.H.
 2016
 111 C p. 116-124
9 p.
 artikel
47 Multiphase modelling of ionic transport in cementitious materials with surface charges Feng, Gan-lin
 2016
 111 C p. 339-349
11 p.
 artikel
48 Nanoindentation simulation of coated aluminum thin film using quasicontinuum method Alizadeh, O.
 2016
 111 C p. 12-22
11 p.
 artikel
49 On the mechanism of electrical conductivity in Ce1/3NbO3 Francisco Gómez-García, J.
 2016
 111 C p. 101-106
6 p.
 artikel
50 Orientation dependent deformation behaviour of BCC iron nanowires Sainath, G.
 2016
 111 C p. 406-415
10 p.
 artikel
51 Prediction of forming-limit curves of dual-phase steels based on a multiple length scale modelling approach considering material instabilities Wesenjak, R.
 2016
 111 C p. 277-288
12 p.
 artikel
52 Realistic microstructure-based modelling of cyclic deformation and crack growth using crystal plasticity Farukh, F.
 2016
 111 C p. 395-405
11 p.
 artikel
53 Selective adsorption of ethylene on bimetallic CuV n +/0 (n =1–5) clusters: A theoretical study Yuan, Jinyun
 2016
 111 C p. 489-496
8 p.
 artikel
54 Selectivity against proton in cation permeable hybrid solid state membrane Picaud, Fabien
 2016
 111 C p. 380-386
7 p.
 artikel
55 Simulation of lower bainitic transformation with the phase-field method considering carbide formation Düsing, M.
 2016
 111 C p. 91-100
10 p.
 artikel
56 Size dependence of the Poisson’s ratio in single-crystal fcc copper nanobeams Ahadi, Aylin
 2016
 111 C p. 322-327
6 p.
 artikel
57 Stability and electronic structures of double-walled armchair germanium carbide nanotubes Song, Jiuxu
 2016
 111 C p. 86-90
5 p.
 artikel
58 Structural, electronic and magnetic properties of FCC Ba2CoBO6 [B=Mo, W, Re, Os]: LSDA+U+SOC comparative investigation Musa Saad H.-E., M.
 2016
 111 C p. 481-488
8 p.
 artikel
59 Study of peculiarities of the thermal expansion of zirconium thin films by molecular-dynamics simulation Dolgusheva, E.B.
 2016
 111 C p. 231-238
8 p.
 artikel
60 Study on interfacial properties in polymer blend ternary nanocomposites: Role of nanofiller content Zare, Yasser
 2016
 111 C p. 334-338
5 p.
 artikel
61 Super-plasticity via secondary twinning in magnesium nanowire revealed by molecular dynamics simulations Ni, Chang
 2016
 111 C p. 163-174
12 p.
 artikel
62 Synergetic interplay between metal (Pt) and nonmetal (C) species in codoped TiO2: A DFT+U study Morgade, Cecilia I.N.
 2016
 111 C p. 513-524
12 p.
 artikel
63 Temperature dependence of elastic properties of L12-Al3Sc: A first-principles study Pan, Rong-Kai
 2016
 111 C p. 424-429
6 p.
 artikel
64 Theoretical description of dye regeneration on the TiO2–dye–electrolyte model Xie, Mo
 2016
 111 C p. 239-246
8 p.
 artikel
65 The release behavior of helium in palladium nanowire: A molecular dynamics study Yang, XiYuan
 2016
 111 C p. 190-196
7 p.
 artikel
66 Three dimensional structures predicted by the modified phase field crystal equation Bueno, Jesus
 2016
 111 C p. 310-312
3 p.
 artikel
67 Two-body potential model based on cosine series expansion for ionic materials Oda, Takuji
 2016
 111 C p. 54-63
10 p.
 artikel
68 Understanding the thermodynamic pathways of SnO-to-SnO x phase transition Sarker, Pranab
 2016
 111 C p. 359-365
7 p.
 artikel
                             68 gevonden resultaten
 
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