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                             52 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio investigation on the slip preference of 〈a〉-dislocations in hexagonal metals and alloys Zhou, G.
 2017
 139 C p. 209-215
 artikel
2 Ab initio study of F-centers in alkali halides Hoya, J.
 2017
 139 C p. 1-7
 artikel
3 Ab initio study of the likely orientation relationships of interphase and homophase interfaces in a two-phase HCP+BCC Mg-Li alloy Mahjoub, Reza
 2017
 139 C p. 406-411
 artikel
4 Accurate representation of formation energies of crystalline alloys with many components Shapeev, A.
 2017
 139 C p. 26-30
 artikel
5 A dislocation density based model for twinning induced softening of TWIP steel Guo, X.R.
 2017
 139 C p. 8-15
 artikel
6 Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations Li, Yue
 2017
 139 C p. 412-418
 artikel
7 A key role of tensile strain and surface termination in formation and properties of La0.7Sr0.3MnO3 composites with carbon nanotubes Kovaleva, Evgenia A.
 2017
 139 C p. 125-131
 artikel
8 A molecular dynamics study on the surface welding and shape memory behaviors of Diels-Alder network Yang, Hua
 2017
 139 C p. 48-55
 artikel
9 AQUAMI: An open source Python package and GUI for the automatic quantitative analysis of morphologically complex multiphase materials Stuckner, Joshua
 2017
 139 C p. 320-329
 artikel
10 A third-generation charge optimized many body (COMB3) potential for nitrogen-containing organic molecules Martinez, Jackelyn
 2017
 139 C p. 153-161
 artikel
11 Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows Mathew, Kiran
 2017
 139 C p. 140-152
 artikel
12 Computational study of the impact of regeneration and unwanted recombination reactions of Ru(II) phenanthroline compounds used as sensitizers in dyes sensitized solar cells Adeniyi, Adebayo A.
 2017
 139 C p. 301-312
 artikel
13 Coupling effects of thickness and aspect ratio on deformation behavior of Cu50Zr50 metallic glass Song, H.Y.
 2017
 139 C p. 106-114
 artikel
14 Design of fracture-resistant silicon structure with molecular dynamics simulation Das, Suvankar
 2017
 139 C p. 379-386
 artikel
15 Design of the P-surfaced shellular, an ultra-low density material with micro-architecture Nguyen, Ban Dang
 2017
 139 C p. 162-178
 artikel
16 Destabilisation of nanoporous membranes through GB grooving and grain growth Joshi, Chaitanya
 2017
 139 C p. 75-83
 artikel
17 Desulfurization efficiency of polydimethylsiloxane/silica nanoparticle nanocomposite membranes: MD simulations Jalali, Azin Mazloom
 2017
 139 C p. 115-124
 artikel
18 Development and application of Ni-Ti and Ni-Al-Ti 2NN-MEAM interatomic potentials for Ni-base superalloys Kim, Young-Kwang
 2017
 139 C p. 225-233
 artikel
19 Effective elastic constants of hexagonal array of soft fibers Drygaś, Piotr
 2017
 139 C p. 395-405
 artikel
20 Effects of morphology, tension and vibration on wettability of graphene: A molecular dynamics study Huang, Chengpeng
 2017
 139 C p. 216-224
 artikel
21 Efficiency and fidelity of molecular simulations relevant to dislocation evolutions Shuang, Fei
 2017
 139 C p. 266-272
 artikel
22 Elastic constants and mechanical properties of PEDOT from first principles calculations Agbaoye, R.O.
 2017
 139 C p. 234-242
 artikel
23 First principles determination of static, dynamic and electronic properties of liquid Ti near melting del Rio, B.G.
 2017
 139 C p. 243-251
 artikel
24 First-principles insights into role of hydrogen atom in black titania Ataei, S. Samaneh
 2017
 139 C p. 84-88
 artikel
25 First principles study on HenV clusters in α-Fe bulk and grain boundaries Bai, Yongan
 2017
 139 C p. 419-429
 artikel
26 From atomistic structure to thermodynamics and mechanical properties of epoxy/clay nanocomposites: Investigation by molecular dynamics simulations Vo, Van Son
 2017
 139 C p. 191-201
 artikel
27 IFC 2017
 139 C p. IFC
 artikel
28 Insights into the radiation behavior of Ln2TiO5 (Ln=La-Y) from defect energetics Liu, Xiao
 2017
 139 C p. 295-300
 artikel
29 Intergranular fracture of tungsten containing phosphorus impurities: A first principles investigation Olsson, Pär A.T.
 2017
 139 C p. 368-378
 artikel
30 Molecular dynamics simulation of the effects of affinity of functional groups and particle-size on the behavior of a graphene sheet in nanofluid Cha, JinHyeok
 2017
 139 C p. 202-208
 artikel
31 Molecular dynamics study of deformation and fracture in SiC with angular dependent potential model Kubo, Atsushi
 2017
 139 C p. 89-96
 artikel
32 Molecular dynamics study of interfacial stress transfer in graphene-oxide cementitious composites Fan, Ding
 2017
 139 C p. 56-64
 artikel
33 Molecular simulation of reverse osmosis for heavy metal ions using functionalized nanoporous graphenes Li, Yaping
 2017
 139 C p. 65-74
 artikel
34 Monolayer enhanced thermoelectric properties compared with bulk for BiTeBr Guo, San-Dong
 2017
 139 C p. 361-367
 artikel
35 New scheme for calculating the kinetic coefficients in CdTe based on first-principle wave function Malyk, Orest
 2017
 139 C p. 387-394
 artikel
36 Phase-field simulations of thermomechanical behavior of MnNi shape memory alloys using finite element method Cui, Shushan
 2017
 139 C p. 285-294
 artikel
37 Precipitation during cooling of 7XXX aluminum alloys Priya, Pikee
 2017
 139 C p. 273-284
 artikel
38 Regulate the polarity of phosphorene’s mechanical properties by oxidation Lü, Tie-Yu
 2017
 139 C p. 341-346
 artikel
39 Strain engineering effect on surprising magnetic semiconducting behavior in zigzag arsenene nanoribbons Abid, M.
 2017
 139 C p. 185-190
 artikel
40 Structural, electronic and optical properties of layered GaSe1−x As x Bahuguna, Bhagwati Prasad
 2017
 139 C p. 31-38
 artikel
41 Structural properties and energy analysis of ZrxCu92−xAl8 ternary metallic glasses Zhao, Jingfeng
 2017
 139 C p. 260-265
 artikel
42 Structure and electronic properties of perylene and coronene under pressure: First-principles calculations Fedorov, I.A.
 2017
 139 C p. 252-259
 artikel
43 Supercell size convergence testing in uniaxial tensile test studies of an Al grain boundary: A proposed path to a robust analysis Ehlers, F.J.H.
 2017
 139 C p. 39-47
 artikel
44 Temperature-dependent BN cluster formation dynamics from a boron cluster: Density-functional tight-binding molecular dynamics simulations Ohta, Yasuhito
 2017
 139 C p. 16-25
 artikel
45 Tetracyanobenzene-Al-graphene efficiency as an organic electrode material for Na-ion batteries: A theoretical approach Molaei, Masoumeh
 2017
 139 C p. 347-353
 artikel
46 Theoretical simulations on the glass transition temperatures and mechanical properties of modified glycidyl azide polymer Lu, Ying-ying
 2017
 139 C p. 132-139
 artikel
47 Theoretical study on hydrogen storage capacity of expanded h-BN systems Fu, Peng
 2017
 139 C p. 335-340
 artikel
48 Thermal rectification in partially hydrogenated graphene with grain boundary, a non-equilibrium molecular dynamics study Shavikloo, Masoumeh
 2017
 139 C p. 330-334
 artikel
49 Thermal transport across isotopic 28Si/mSi interfaces Frieling, Rafael
 2017
 139 C p. 354-360
 artikel
50 Topological design of phononic band gap crystals with sixfold symmetric hexagonal lattice Zhang, Zhaoxuan
 2017
 139 C p. 97-105
 artikel
51 Tunable electronic properties and optical properties of novel stanene/ZnO heterostructure: First-principles calculation Cao, Hanxing
 2017
 139 C p. 179-184
 artikel
52 Tuning magnetic properties of Cr2M2C3T2 (M=Ti and V) using extensile strain Yang, Jianhui
 2017
 139 C p. 313-319
 artikel
                             52 gevonden resultaten
 
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