| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields
|
Souissi, Maaouia
|
|
2016
|
124 |
C |
p. 249-258
|
artikel
|
| 2 |
Ab initio investigation into structural, mechanical and electronic properties of low pressure, high pressure and high pressure-high temperature phases of Indium Selenide
|
Ghalouci, L.
|
|
2016
|
124 |
C |
p. 62-77
|
artikel
|
| 3 |
Ab-initio investigation of the finite-temperatures structural, elastic, and thermodynamic properties of Ti3AlC2 and Ti3SiC2
|
Son, Woongrak
|
|
2016
|
124 |
C |
p. 420-427
|
artikel
|
| 4 |
A continuum grain attachment model for simulations of equiaxed solidification
|
Plotkowski, A.
|
|
2016
|
124 |
C |
p. 238-248
|
artikel
|
| 5 |
A coupled Cellular Automaton–Lattice Boltzmann model for grain structure simulation during additive manufacturing
|
Rai, Abha
|
|
2016
|
124 |
C |
p. 37-48
|
artikel
|
| 6 |
A density functional approach to characterize anisotropic hyperelastic behavior of organic crystals: Case study of nylon-6,6
|
Farahmand, H.
|
|
2016
|
124 |
C |
p. 390-397
|
artikel
|
| 7 |
Alkali and Alkaline earth metal doped aluminum tetraborides containing intrinsic planar boron sheet: XAlB4 (X =Li, Mg, Ca, and Na)
|
Tayran, C.
|
|
2016
|
124 |
C |
p. 130-141
|
artikel
|
| 8 |
A modified embedded atom method potential for interstitial oxygen in titanium
|
Zhang, Pinchao
|
|
2016
|
124 |
C |
p. 204-210
|
artikel
|
| 9 |
A molecular dynamics study of the shock-induced defect microstructure in single crystal Cu
|
Wen, Peng
|
|
2016
|
124 |
C |
p. 304-310
|
artikel
|
| 10 |
A numerical study on magnetostrictive phenomena in magnetorheological elastomers
|
Metsch, Philipp
|
|
2016
|
124 |
C |
p. 364-374
|
artikel
|
| 11 |
Calcium decorated two dimensional carbon allotropes for hydrogen storage: A first-principles study
|
Pan, Rui
|
|
2016
|
124 |
C |
p. 106-113
|
artikel
|
| 12 |
Developing empirical potentials from ab initio simulations: The case of amorphous silica
|
Carré, Antoine
|
|
2016
|
124 |
C |
p. 323-334
|
artikel
|
| 13 |
Effect of autocatalysis on variant selection of α precipitates during phase transformation in Ti-6Al-4V alloy
|
Qiu, Di
|
|
2016
|
124 |
C |
p. 282-289
|
artikel
|
| 14 |
Effect of oxygen adsorption on structural and electronic properties of defective surfaces (001), (111), and (110) TiC: Ab initio study
|
Ilyasov, Victor V.
|
|
2016
|
124 |
C |
p. 344-352
|
artikel
|
| 15 |
Electronic and magnetic properties of MnF3(4) superhalogen cluster-sandwiched bilayer graphene: First-principles calculations
|
Zhang, Xi
|
|
2016
|
124 |
C |
p. 316-322
|
artikel
|
| 16 |
Electronic and optical properties of bilayer blue phosphorus
|
Mogulkoc, Y.
|
|
2016
|
124 |
C |
p. 23-29
|
artikel
|
| 17 |
Electronic structure and optical properties of magnesium tetraborate: An ab initio study
|
Oliveira, T.M.
|
|
2016
|
124 |
C |
p. 1-7
|
artikel
|
| 18 |
Evaluating the size of Fe nanoparticles for ammonia adsorption and dehydrogenation
|
Otero, G.S.
|
|
2016
|
124 |
C |
p. 220-227
|
artikel
|
| 19 |
First-principles study of the negative thermal expansion of PbTiO3
|
Jiao, Yue-Chao
|
|
2016
|
124 |
C |
p. 92-97
|
artikel
|
| 20 |
First principle study of inducing superconductivity in α-graphyne by hole-doping and biaxial tensile strain
|
Morshedloo, Toktam
|
|
2016
|
124 |
C |
p. 183-189
|
artikel
|
| 21 |
Fluorine and carbon fluoride interaction with a diamond surface: Quantum-chemical modeling
|
Lvova, N.A.
|
|
2016
|
124 |
C |
p. 30-36
|
artikel
|
| 22 |
Formation of long-period stacking fault structures in magnesium alloys
|
Umantsev, Alexander
|
|
2016
|
124 |
C |
p. 173-182
|
artikel
|
| 23 |
Half-metallic and magnetic properties of AlN nanosheets doped with nonmagnetic metals: A first-principles study
|
Xiao, Gang
|
|
2016
|
124 |
C |
p. 98-105
|
artikel
|
| 24 |
Harmonic effects in atomistic phase interactions between phonons and dislocations moving at relativistic velocities
|
Burbery, N.
|
|
2016
|
124 |
C |
p. 259-266
|
artikel
|
| 25 |
IFC
|
|
|
2016
|
124 |
C |
p. IFC
|
artikel
|
| 26 |
Influence of curvature on water desalination through the graphene membrane with Si-passivated nanopore
|
Ebrahimi, Sadollah
|
|
2016
|
124 |
C |
p. 160-165
|
artikel
|
| 27 |
Insights into twinning in Mg AZ31: A combined EBSD and machine learning study
|
Orme, Andrew D.
|
|
2016
|
124 |
C |
p. 353-363
|
artikel
|
| 28 |
Investigation of Dynamic Abnormal Grain Growth using the Monte Carlo Potts method
|
Williamson, A.
|
|
2016
|
124 |
C |
p. 114-129
|
artikel
|
| 29 |
Large magnetoresistance in planar Fe/MoS2/Fe tunnel junction
|
Tarawneh, Khaldoun
|
|
2016
|
124 |
C |
p. 15-22
|
artikel
|
| 30 |
Lattice dynamics and electronic structures of Ti3C2O2 and Mo2TiC2O2 (MXenes): The effect of Mo substitution
|
Li, Longhua
|
|
2016
|
124 |
C |
p. 8-14
|
artikel
|
| 31 |
Maleic anhydride as a promising anode material for Na-Ion and Li-Ion batteries with using a proper substrate: A first principles study
|
Momeni, Mohammad Jafar
|
|
2016
|
124 |
C |
p. 166-172
|
artikel
|
| 32 |
Mechanical properties and electronic structures of diverse PtAl intermetallics: First-principles calculations
|
Zhao, Yan
|
|
2016
|
124 |
C |
p. 273-281
|
artikel
|
| 33 |
Mesoscale model for fission-induced recrystallization in U-7Mo alloy
|
Liang, Linyun
|
|
2016
|
124 |
C |
p. 228-237
|
artikel
|
| 34 |
Molecular dynamics study of the influence of Sb-vacancy defects on the lattice thermal conductivity of crystalline CoSb3
|
Liu, Zi
|
|
2016
|
124 |
C |
p. 403-410
|
artikel
|
| 35 |
Nonlinear elastic response and anharmonic properties of MgO single crystal: First-principles investigation
|
Wang, Chenju
|
|
2016
|
124 |
C |
p. 375-383
|
artikel
|
| 36 |
Numerical analysis of macrosegregation in vertically solidified Pb-Sn test castings – Part I: Columnar solidification
|
Wu, M.
|
|
2016
|
124 |
C |
p. 444-455
|
artikel
|
| 37 |
Numerical analysis of macrosegregation in vertically solidified Pb-Sn test castings – Part II: Equiaxed solidification
|
Zheng, Y.
|
|
2016
|
124 |
C |
p. 456-470
|
artikel
|
| 38 |
Numerical simulation and parametric study of solution ARGET ATRP of styrene
|
Preturlan, João G.D.
|
|
2016
|
124 |
C |
p. 211-219
|
artikel
|
| 39 |
On the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals
|
Masys, Š.
|
|
2016
|
124 |
C |
p. 78-86
|
artikel
|
| 40 |
Phase-field-crystal study on the reaction mechanisms of opposite sign edge dislocations appearing in the deformation processes of asymmetric tilt sub-grain boundary system
|
Hu, Shi
|
|
2016
|
124 |
C |
p. 195-203
|
artikel
|
| 41 |
Precise calculation of melting curves by molecular dynamics
|
Karavaev, A.V.
|
|
2016
|
124 |
C |
p. 335-343
|
artikel
|
| 42 |
Predicted semiconductor to metal transition from LiBSi2 to RbBSi2 by first-principles calculations
|
Zhang, Huijun
|
|
2016
|
124 |
C |
p. 267-272
|
artikel
|
| 43 |
Role of second-phase particle morphology on 3D grain growth: A phase-field approach
|
Chang, Kunok
|
|
2016
|
124 |
C |
p. 438-443
|
artikel
|
| 44 |
Stability of vacancy-oxygen complexes in bulk nickel: Atomistic and ab initio calculations
|
Zenia, H.
|
|
2016
|
124 |
C |
p. 428-437
|
artikel
|
| 45 |
Stochastic modeling of individual grain behavior during Ostwald ripening at ultra-high volume fractions of the coarsening phase
|
Spettl, A.
|
|
2016
|
124 |
C |
p. 290-303
|
artikel
|
| 46 |
Structure and electronic properties of palladium chains supported by NiAl(110): A first-principles study
|
Wu, Ping
|
|
2016
|
124 |
C |
p. 398-402
|
artikel
|
| 47 |
The dissociation behavior of dislocation arrays in face centered cubic metals
|
Li, K.Q.
|
|
2016
|
124 |
C |
p. 384-389
|
artikel
|
| 48 |
The effect of Stone-Wales defects on the mechanical behavior of graphene nano-ribbons
|
Fu, Yin
|
|
2016
|
124 |
C |
p. 142-150
|
artikel
|
| 49 |
The Material Point Monte Carlo model: A discrete, off-lattice method for microstructural evolution simulations
|
Goins, Philip E.
|
|
2016
|
124 |
C |
p. 411-419
|
artikel
|
| 50 |
Theoretical study of disorder-order transition of sodium borohydride
|
Dong, Ya-Ru
|
|
2016
|
124 |
C |
p. 87-91
|
artikel
|
| 51 |
Thermodiffusion in liquid binary alloys computed from molecular-dynamics simulation and the Green-Kubo formalism
|
Tucker, William C.
|
|
2016
|
124 |
C |
p. 54-61
|
artikel
|
| 52 |
The self-propelled movement of the water nanodroplet in different surface wettability gradients: A contact angle view
|
Zhang, Kai
|
|
2016
|
124 |
C |
p. 190-194
|
artikel
|
| 53 |
The spallation of single crystal SiC: The effects of shock pulse duration
|
Li, W.H.
|
|
2016
|
124 |
C |
p. 151-159
|
artikel
|
| 54 |
Topological phase transition in half-Heusler compounds HfIrX (X=As, Sb, Bi)
|
Wang, Guangtao
|
|
2016
|
124 |
C |
p. 311-315
|
artikel
|
| 55 |
Two-dimensional metallic MoS2: A DFT study
|
Lin, Xinyue
|
|
2016
|
124 |
C |
p. 49-53
|
artikel
|
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