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                             51 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio calculations of the atomic and electronic structures of crystalline PEO3:LiCF3SO3 electrolytes Xue, Sha
 2016
 112 PA p. 170-174
5 p.
 artikel
2 Ab initio investigations of the phase stability in group IVB and VB transition metal carbides Yu, Xiao-Xiang
 2016
 112 PA p. 318-326
9 p.
 artikel
3 A first principles study of cohesive, elastic and electronic properties of binary Fe–Zr intermetallics Ali, Kawsar
 2016
 112 PA p. 52-66
15 p.
 artikel
4 A first-principles study of the mechanical properties of AlN with Raman verification Dai, Yiquan
 2016
 112 PA p. 342-346
5 p.
 artikel
5 A large-scale simulation method on complex ternary Li–Mn–O compounds for Li-ion battery cathode materials Kong, Fantai
 2016
 112 PA p. 193-204
12 p.
 artikel
6 An efficient MultiGrid solver for the 3D simulation of composite materials Gu, Hanfeng
 2016
 112 PA p. 230-237
8 p.
 artikel
7 A nucleation algorithm for the coupled conserved–nonconserved phase field model Jokisaari, A.M.
 2016
 112 PA p. 128-138
11 p.
 artikel
8 A simple faceting model for the interfacial and cleavage energies of Σ 3 grain boundaries in the complete boundary plane orientation space Banadaki, Arash Dehghan
 2016
 112 PA p. 147-160
14 p.
 artikel
9 Atomistic modeling of the effect of calcium on the yield surface of nanopolycrystalline magnesium-based alloys Reddy, Raghuram
 2016
 112 PA p. 219-229
11 p.
 artikel
10 Band structure modulation in MoS2 multilayers and heterostructures through electric field and strain Lanzillo, Nicholas A.
 2016
 112 PA p. 377-382
6 p.
 artikel
11 Characterizing nanotube–polymer interaction using molecular dynamics simulation Rafiee, Roham
 2016
 112 PA p. 356-363
8 p.
 artikel
12 Computational modeling of structure formation during dielectrophoresis in particulate composites Gutiérrez, M.A.
 2016
 112 PA p. 139-146
8 p.
 artikel
13 Density function theoretical and experimental study of NH3 +NO x adsorptions on MnO x /TiO2 surface Zhang, Liangjing
 2016
 112 PA p. 238-244
7 p.
 artikel
14 Diffusion properties of Fe–C systems studied by using kinetic activation–relaxation technique Restrepo, Oscar A.
 2016
 112 PA p. 96-106
11 p.
 artikel
15 Effect of strain on the optical properties of LaNiO3: A first-principle study Misra, D.
 2016
 112 PA p. 113-119
7 p.
 artikel
16 Effect of ternary additions to structural properties of NiTi alloys Singh, Navdeep
 2016
 112 PA p. 347-355
9 p.
 artikel
17 Electric field and strain tunable electronic structures in monolayer Black Phosphorus Cao, Tengfei
 2016
 112 PA p. 297-303
7 p.
 artikel
18 Electron tunneling in Fe/KNbO3/Fe multiferroic tunnel junctions Zhang, Hu
 2016
 112 PA p. 257-262
6 p.
 artikel
19 Extension of the NRL tight-binding method to include f orbitals and applications in Th, Ac, La and Yb Durgavich, Joel
 2016
 112 PA p. 395-404
10 p.
 artikel
20 First-principles investigation of the magnetic structures and pressure-induced magnetic phase transition in magnetocaloric MnRhAs Zhang, Yuemei
 2016
 112 PA p. 34-38
5 p.
 artikel
21 Gupta potentials for five HCP rare earth metals Li, Xiaojie
 2016
 112 PA p. 75-79
5 p.
 artikel
22 IFC 2016
 112 PA p. IFC-
1 p.
 artikel
23 Impact of segregated interstitials on structures and energies of tilt grain boundaries in Mo Novoselov, I.I.
 2016
 112 PA p. 276-281
6 p.
 artikel
24 Initiation, evolution, and saturation of coupled grain boundary motion in nanocrystalline materials Wang, Peng
 2016
 112 PA p. 289-296
8 p.
 artikel
25 In-silico design of a new energetic material—1-Amino-5-nitrotetrazole with high energy and density Zhou, S.Y.
 2016
 112 PA p. 67-74
8 p.
 artikel
26 Magnetic and structural properties of single 3d transition metals adsorbed on corannulene: A density functional theory study Afshar, Mahdi
 2016
 112 PA p. 92-95
4 p.
 artikel
27 Material synthesis and design from first principle calculations and machine learning Takahashi, Keisuke
 2016
 112 PA p. 364-367
4 p.
 artikel
28 Minimum thermal conductivity in periodically twinned SrTiO3 Li, Weixuan
 2016
 112 PA p. 107-112
6 p.
 artikel
29 Molecular dynamics simulation of nanoindentation of nanocrystalline Al/Ni multilayers Chamani, M.
 2016
 112 PA p. 175-184
10 p.
 artikel
30 Molecular dynamics studies on the correlation of undercoolability and thermophysical properties of liquid Ni–Al alloys Xia, Y.
 2016
 112 PA p. 383-394
12 p.
 artikel
31 Molecular dynamics study on atomic elastic stiffness at mode I crack tip in Si: Precursor instability in their eigenvalue before crack propagation Yashiro, K.
 2016
 112 PA p. 120-127
8 p.
 artikel
32 Nonequilibrium free-energy calculation of solids using LAMMPS Freitas, Rodrigo
 2016
 112 PA p. 333-341
9 p.
 artikel
33 Phase field modelling of microstructural evolution during the quenching and partitioning treatment in low-alloy steels Mecozzi, M.G.
 2016
 112 PA p. 245-256
12 p.
 artikel
34 Properties of armchair ZnTe nanotubes: A density functional study Das, Monoj
 2016
 112 PA p. 1-7
7 p.
 artikel
35 Simulation of compression behavior and strain-rate effect for aluminum foam sandwich panels Dou, Renjun
 2016
 112 PA p. 205-209
5 p.
 artikel
36 Solute–grain boundary interaction and segregation formation in Al: First principles calculations and molecular dynamics modeling Karkina, L.E.
 2016
 112 PA p. 18-26
9 p.
 artikel
37 Stability and electronic structure of MgAl2O4(111) surfaces: A first-principles study Li, Xiao
 2016
 112 PA p. 8-17
10 p.
 artikel
38 Strained phonon–phonon scattering in carbon nanotubes Chu, Yanbiao
 2016
 112 PA p. 87-91
5 p.
 artikel
39 Structural, electronic and optical properties of Zn0.5Cr0.5S from first-principles Yin, Zhu-Hua
 2016
 112 PA p. 39-43
5 p.
 artikel
40 Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation Xu, Guangji
 2016
 112 PA p. 161-169
9 p.
 artikel
41 Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry Kuzubov, Alexander A.
 2016
 112 PA p. 269-275
7 p.
 artikel
42 TE Design Lab: A virtual laboratory for thermoelectric material design Gorai, Prashun
 2016
 112 PA p. 368-376
9 p.
 artikel
43 The compensational boundary method to calculate the projected contact area of nanoindentation in atomistic simulations Xu, Zhenhai
 2016
 112 PA p. 185-192
8 p.
 artikel
44 The effects of uniaxial and biaxial strain on the electronic structure of germanium Sakata, Kaoruho
 2016
 112 PA p. 263-268
6 p.
 artikel
45 The electronic and the magnetic properties of Mn doped wurtzite CdS: First-principles calculations Nabi, Azeem
 2016
 112 PA p. 210-218
9 p.
 artikel
46 The interaction of H2 with multidecker C6− n B n H6Sc (n =0–6) complexes Tang, Fei
 2016
 112 PA p. 327-332
6 p.
 artikel
47 The non-equilibrium crystallization of Cu3Au with cooling rate near criticality Chen, Gang
 2016
 112 PA p. 80-86
7 p.
 artikel
48 The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study Zhou, Yanguang
 2016
 112 PA p. 27-33
7 p.
 artikel
49 Three-dimensional mesoscopic modeling of equiaxed dendritic solidification of a binary alloy Souhar, Youssef
 2016
 112 PA p. 304-317
14 p.
 artikel
50 Validation of a novel higher-order multi-phase-field model for grain-growth simulations using anisotropic grain-boundary properties Miyoshi, Eisuke
 2016
 112 PA p. 44-51
8 p.
 artikel
51 Wave propagation in fluid-conveying viscoelastic carbon nanotubes based on nonlocal strain gradient theory Li, Li
 2016
 112 PA p. 282-288
7 p.
 artikel
                             51 gevonden resultaten
 
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