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 |