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                             41 results found
no title author magazine year volume issue page(s) type
1 A data-driven identification of morphological features influencing the fill factor and efficiency of organic photovoltaic devices Gebhardt, Ryan S.
2017
129 C p. 220-225
6 p.
article
2 A DFT study on the modification mechanism of (Cr, C) co-doping for the electronic and optical properties of anatase TiO2 Li, Xuechao
2017
129 C p. 295-303
9 p.
article
3 An interatomic potential for simulation of Zr-Nb system Smirnova, D.E.
2017
129 C p. 259-272
14 p.
article
4 A novel temperature dependent yield strength model for metals considering precipitation strengthening and strain rate Zhang, Xianhe
2017
129 C p. 147-155
9 p.
article
5 A paramagnetic neutral CBVN center in hexagonal boron nitride monolayer for spin qubit application Cheng, G.D.
2017
129 C p. 247-251
5 p.
article
6 A study of adatom ripening on an Al (111) surface with machine learning force fields Botu, V.
2017
129 C p. 332-335
4 p.
article
7 Changes in micromechanical properties of Na-montmorillonite caused by CO2/H2O sorption Zhang, W.N.
2017
129 C p. 178-183
6 p.
article
8 Concurrent topology optimization of composite macrostructure and microstructure constructed by constituent phases of distinct Poisson's ratios for maximum frequency Long, Kai
2017
129 C p. 194-201
8 p.
article
9 Doping of graphene using ion beam irradiation and the atomic mechanism Wu, Xin
2017
129 C p. 184-193
10 p.
article
10 Effect of grain size on apparent diffusivity in nanocrystal α-iron by atomistic simulation Mohammadzadeh, Mina
2017
129 C p. 239-246
8 p.
article
11 Effects of dispersion and orientation of nanorods on electrical networks of block copolymer nanocomposites Zhang, Shuaichao
2017
129 C p. 107-114
8 p.
article
12 Electrocaloric effect in PbZrO3 thin films with antiferroelectric-ferroelectric phase competition Glazkova-Swedberg, E.
2017
129 C p. 44-48
5 p.
article
13 Electronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+ and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction De Lile, Jeffrey Roshan
2017
129 C p. 24-36
13 p.
article
14 FEM analysis of metal matrix nanocomposites reinforced with off-line atomistically-informed equivalent nanofillers Bashirvand, S.
2017
129 C p. 89-97
9 p.
article
15 First-principles calculations for the mechanical properties of Ti-Nb-B2 solid solutions Mediukh, N.R.
2017
129 C p. 82-88
7 p.
article
16 Hydrogenation-induced giant rectifying behaviors in silicene and germanene heterojunctions Song, Yang
2017
129 C p. 37-43
7 p.
article
17 IFC 2017
129 C p. IFC-
1 p.
article
18 Influence of point defects on optical properties of GaN-based materials by first principle study Li, Linsen
2017
129 C p. 49-54
6 p.
article
19 Influence of surface atomic structure on the mechanical response of aluminum nanospheres under compression Bel Haj Salah, S.
2017
129 C p. 273-278
6 p.
article
20 Interatomic potential that describes martensitic phase transformations in pure lithium Ko, Won-Seok
2017
129 C p. 202-210
9 p.
article
21 Magnetism and magnetocrystalline anisotropy in vacancy doped and (non)metal adsorbed single-layer PtSe2 Zhang, Wei
2017
129 C p. 171-177
7 p.
article
22 Mechanical behavior of planar borophenes: A molecular mechanics study Giannopoulos, Georgios I.
2017
129 C p. 304-310
7 p.
article
23 Mechanical behaviors of nanocrystalline Cu/SiC composites: An atomistic investigation Zhou, Yanguang
2017
129 C p. 129-136
8 p.
article
24 Mesoscopic coupled modeling of texture formation during recrystallization considering stored energy decomposition Kim, Dong-Kyu
2017
129 C p. 55-65
11 p.
article
25 Mg fragments and Al bonded networks in liquid Mg–Al alloys Wang, Jin
2017
129 C p. 115-122
8 p.
article
26 Molecular dynamics sliding simulations of amorphous Ni, Ni-P and nanocrystalline Ni films Dmitriev, Andrey I.
2017
129 C p. 231-238
8 p.
article
27 Molecular dynamics study of fracture toughness and trans-intergranular transition in bi-crystalline graphene Han, Jihoon
2017
129 C p. 323-331
9 p.
article
28 Monte Carlo simulations of polycrystalline ferroelectrics: Effects of electric field and grain size on dynamic electric polarization Allen, J.B.
2017
129 C p. 164-170
7 p.
article
29 Multi-fidelity machine learning models for accurate bandgap predictions of solids Pilania, G.
2017
129 C p. 156-163
8 p.
article
30 Multi-scale modelling of carbon nanotube reinforced crosslinked interfaces Ozden-Yenigun, Elif
2017
129 C p. 279-289
11 p.
article
31 Optimal experimental design for materials discovery Dehghannasiri, Roozbeh
2017
129 C p. 311-322
12 p.
article
32 Phase-field study on effects of antiphase domain and elastic energy on evolution of γ′ precipitates in nickel-based superalloys Yang, M.
2017
129 C p. 211-219
9 p.
article
33 Plastic deformation mechanisms and size effect of Cu50Zr50/Cu amorphous/crystalline nanolaminate: A molecular dynamics study Luan, Y.W.
2017
129 C p. 137-146
10 p.
article
34 Self-diffusion in intermetallic AlAu4: Molecular dynamics study down to temperatures relevant to wire bonding Guerdane, M.
2017
129 C p. 13-23
11 p.
article
35 Simulation analysis of co-continuous ceramic composite dynamic mechanical performance and optimization design Wang, Qingxiang
2017
129 C p. 123-128
6 p.
article
36 Simulations of cratering and sputtering from an ion track in crystalline and amorphous Lennard Jones thin films Gutierres, L.I.
2017
129 C p. 98-106
9 p.
article
37 Strengthening materials by changing the number of valence electrons Xing, Wandong
2017
129 C p. 252-258
7 p.
article
38 The electronic properties of chiral carbon nanotubes Liu, Jing
2017
129 C p. 290-294
5 p.
article
39 Thermal conductivity of 1D carbyne chains Deng, Yichen
2017
129 C p. 226-230
5 p.
article
40 Uniaxial deformation of polystyrene–silica nanocomposites studied by hybrid molecular dynamics–finite element simulations Liu, Shengyuan
2017
129 C p. 1-12
12 p.
article
41 Using Bayesian framework to calibrate a physically based model describing strain-stress behavior of TRIP steels Honarmandi, P.
2017
129 C p. 66-81
16 p.
article
                             41 results found
 
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