| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study for the adsorption of various gases on a caesium-exchanged trapdoor chabazite
|
Shang, Jin
|
|
|
122 |
C |
p. 307-313
|
artikel
|
| 2 |
An efficient computational technique for modeling dislocation–precipitate interactions within dislocation dynamics
|
Keyhani, Amirreza
|
|
|
122 |
C |
p. 281-287
|
artikel
|
| 3 |
A new method to establish dynamic recrystallization kinetics model of a typical solution-treated Ni-based superalloy
|
Chen, Ming-Song
|
|
|
122 |
C |
p. 150-158
|
artikel
|
| 4 |
An exact solution to compute the band gap in phononic crystals
|
Li, Eric
|
|
|
122 |
C |
p. 72-85
|
artikel
|
| 5 |
Applicability of continuum based models in designing proper carbon nanotube based nanosensors
|
Habibi, S.E.
|
|
|
122 |
C |
p. 322-330
|
artikel
|
| 6 |
Approximate solutions to the cluster variation free energies by the variable basis cluster expansion
|
Sanchez, J.M.
|
|
|
122 |
C |
p. 301-306
|
artikel
|
| 7 |
Assessment of the CSL and SU models for bcc-Fe grain boundaries from first principles
|
Xu, Jian
|
|
|
122 |
C |
p. 22-29
|
artikel
|
| 8 |
Atomic-based phase-field method for the modeling of radiation induced segregation in Fe–Cr
|
Piochaud, J.B.
|
|
|
122 |
C |
p. 249-262
|
artikel
|
| 9 |
Atomistic studies of hydrogen effects on grain boundary structure and deformation response in FCC Ni
|
Kuhr, Bryan
|
|
|
122 |
C |
p. 92-101
|
artikel
|
| 10 |
Atomistic studies of shock-induced phase transformations in single crystal iron with cylindrical nanopores
|
Wu, Li
|
|
|
122 |
C |
p. 1-10
|
artikel
|
| 11 |
Compression and reconstruction of random microstructures using accelerated lineal path function
|
Havelka, Jan
|
|
|
122 |
C |
p. 102-117
|
artikel
|
| 12 |
3D level set modeling of static recrystallization considering stored energy fields
|
Scholtes, Benjamin
|
|
|
122 |
C |
p. 57-71
|
artikel
|
| 13 |
Elastic and thermal properties of hexagonal perovskites
|
Chernatynskiy, A.
|
|
|
122 |
C |
p. 139-145
|
artikel
|
| 14 |
Existence and forming mechanism of metastable phase in crystallization
|
Huang, Yunhao
|
|
|
122 |
C |
p. 167-176
|
artikel
|
| 15 |
First-principles DFT+ U calculations on the energetics of Ga in Pu, Pu2O3 and PuO2
|
Ao, Bingyun
|
|
|
122 |
C |
p. 263-271
|
artikel
|
| 16 |
First-principles investigation on the interface of transition metal dichalcogenide MX2 (M=Mo, W; X=S, Se) monolayer on Al2O3(0001)
|
Pan, Rui
|
|
|
122 |
C |
p. 118-125
|
artikel
|
| 17 |
First principles phonon calculations of dielectric properties in Ba2MWO6 (M=Mg, Zn)
|
Vali, R.
|
|
|
122 |
C |
p. 146-149
|
artikel
|
| 18 |
First principles study the luminescence mechanism of wurtzite AgInS2 doped by zinc
|
Yin, Jianbo
|
|
|
122 |
C |
p. 86-91
|
artikel
|
| 19 |
Formation of { 1 1 2 ¯ 1 } twins from I1-type stacking faults in Mg: A molecular dynamics study
|
Matsubara, Kazuki
|
|
|
122 |
C |
p. 314-321
|
artikel
|
| 20 |
Hosting of La3+ guest ions in type-I Ge clathrates: A first-principles characterization for thermoelectric applications
|
González-Romero, Robert L.
|
|
|
122 |
C |
p. 46-56
|
artikel
|
| 21 |
IFC
|
|
|
|
122 |
C |
p. IFC
|
artikel
|
| 22 |
Influence of external load on the frictional characteristics of rotary model using a molecular dynamics approach
|
Shi, Weijie
|
|
|
122 |
C |
p. 201-209
|
artikel
|
| 23 |
Insight into the effect of surface structure on H2 adsorption and activation over different CuO(111) surfaces: A first-principle study
|
Hao, Genyan
|
|
|
122 |
C |
p. 191-200
|
artikel
|
| 24 |
Investigating thermal conductivities of functionalized graphene and graphene/epoxy nanocomposites
|
Wang, Tai-Yuan
|
|
|
122 |
C |
p. 272-280
|
artikel
|
| 25 |
Investigations of adhesion between waveguide and InP-laser with finger structure bonding
|
Liou, Jian-Chiun
|
|
|
122 |
C |
p. 30-37
|
artikel
|
| 26 |
Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression: A molecular dynamics simulation study
|
Kurban, Mustafa
|
|
|
122 |
C |
p. 295-300
|
artikel
|
| 27 |
Mechanical properties study for new hypothetical crystalline phases of ReB2: A computational approach using density functional theory
|
Marín-Suárez, Marco
|
|
|
122 |
C |
p. 240-248
|
artikel
|
| 28 |
Modelling the coupling between hydrogen diffusion and the mechanical behaviour of metals
|
Barrera, O.
|
|
|
122 |
C |
p. 219-228
|
artikel
|
| 29 |
MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems
|
Mathew, Kiran
|
|
|
122 |
C |
p. 183-190
|
artikel
|
| 30 |
Numerical investigation of microstructure effect on mechanical properties of bi-continuous and particulate reinforced composite materials
|
Chen, Hailong
|
|
|
122 |
C |
p. 288-294
|
artikel
|
| 31 |
Photoemission simulation for photocathode design: theory and application to copper and silver surfaces
|
Camino, B.
|
|
|
122 |
C |
p. 331-340
|
artikel
|
| 32 |
Point defects and Zn-doping in defective Laves phase C15 MgCu2: A first-principles study
|
Zheng, Jie
|
|
|
122 |
C |
p. 159-166
|
artikel
|
| 33 |
Roles of deformation and interaction: Formation of 1ML subsurface oxygen occupation under Ru(0001)
|
Cai, Jian-Qiu
|
|
|
122 |
C |
p. 210-218
|
artikel
|
| 34 |
Site occupancies in sigma-phase Fe–Cr–X (X=Co, Ni) alloys: Calculations versus experiment
|
Cieślak, J.
|
|
|
122 |
C |
p. 229-239
|
artikel
|
| 35 |
Structure and transport properties of the liquid Al80Cu20 alloy – A molecular dynamics study
|
Trybula, Marcela E.
|
|
|
122 |
C |
p. 341-352
|
artikel
|
| 36 |
The effects of connecting region length on the natural frequencies of straight and non-straight hetero-junction carbon nanotubes
|
Mohammadian, Mostafa
|
|
|
122 |
C |
p. 11-21
|
artikel
|
| 37 |
Theoretical investigation of proton-transfer in different membranes for PEMFC applications in low humidity conditions
|
Molavian, Mohammad Reza
|
|
|
122 |
C |
p. 126-138
|
artikel
|
| 38 |
The stacking of antifluorite Fe2P2 layer on the electronic structure of the ternary compounds CaFe2P2, BaFe2P2 and EuFe2P2
|
Soliman, S.
|
|
|
122 |
C |
p. 177-182
|
artikel
|
| 39 |
Vibrational properties of C 60: A comparison among different inter-atomic potentials
|
Nejat Pishkenari, Hossein
|
|
|
122 |
C |
p. 38-45
|
artikel
|
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