| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio design of 3D carbyne-based material
|
Timoshevskii, A.
|
|
2017
|
128 |
C |
p. 223-228
|
artikel
|
| 2 |
A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations
|
Teichert, Gregory H.
|
|
2017
|
128 |
C |
p. 127-139
|
artikel
|
| 3 |
A first-principle study of the structural, elastic, lattice dynamical and thermodynamic properties of α ″ - Fe 16 C 2 and α ″ - Fe 16 N 2 phases
|
Kandaskalov, Dmytro
|
|
2017
|
128 |
C |
p. 278-286
|
artikel
|
| 4 |
A general computational method for electron emission and thermal effects in field emitting nanotips
|
Kyritsakis, A.
|
|
2017
|
128 |
C |
p. 15-21
|
artikel
|
| 5 |
An atomic-level understanding of the strengthening mechanism of aluminum matrix composites reinforced by aligned carbon nanotubes
|
Xiang, Junfeng
|
|
2017
|
128 |
C |
p. 359-372
|
artikel
|
| 6 |
An extended GTN model for indentation-induced damage
|
Chen, Youbin
|
|
2017
|
128 |
C |
p. 229-235
|
artikel
|
| 7 |
A theoretical study of the effects of sp-elements on hydrogen in nickel-based alloys
|
Liu, Wenguan
|
|
2017
|
128 |
C |
p. 37-41
|
artikel
|
| 8 |
Atomic ordering in Cu-Al-Ni: Point approximation and Monte Carlo simulations
|
Lanzini, F.
|
|
2017
|
128 |
C |
p. 198-206
|
artikel
|
| 9 |
Atomic self-diffusion anisotropy of HCP metals from first-principles calculations
|
Zhang, Lian-Ji
|
|
2017
|
128 |
C |
p. 236-242
|
artikel
|
| 10 |
Atomistic prediction of plane stress behavior of glassy thermosets
|
Moller, James C.
|
|
2017
|
128 |
C |
p. 257-277
|
artikel
|
| 11 |
Band offset engineering in C-functionalized boronitrene
|
Obodo, K.O.
|
|
2017
|
128 |
C |
p. 373-378
|
artikel
|
| 12 |
Band structure diagram paths based on crystallography
|
Hinuma, Yoyo
|
|
2017
|
128 |
C |
p. 140-184
|
artikel
|
| 13 |
Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
|
Lebedeva, Irina V.
|
|
2017
|
128 |
C |
p. 45-58
|
artikel
|
| 14 |
Computational investigation of interstitial neon diffusion in pure hematite
|
Balout, Hilal
|
|
2017
|
128 |
C |
p. 67-74
|
artikel
|
| 15 |
CPA descriptions of random Cu-Au alloys in comparison with SQS approach
|
Tian, Li-Yun
|
|
2017
|
128 |
C |
p. 302-309
|
artikel
|
| 16 |
Development of physically based atomistic microstructures: The effect on the mechanical response of polycrystals
|
Gruber, Jacob
|
|
2017
|
128 |
C |
p. 29-36
|
artikel
|
| 17 |
Effect of Al on the atomic structure in Zr50Cu40Al10 metallic glass
|
Zhang, X.F.
|
|
2017
|
128 |
C |
p. 343-347
|
artikel
|
| 18 |
Elastic and thermal properties of refractory high-entropy alloys from first-principles calculations
|
Ge, Huijuan
|
|
2017
|
128 |
C |
p. 185-190
|
artikel
|
| 19 |
Electronic and magnetic properties of Re-doped single-layer MoS2: A DFT study
|
Zhao, Puju
|
|
2017
|
128 |
C |
p. 287-293
|
artikel
|
| 20 |
Grain-resolved kinetics and rotation during grain growth of nanocrystalline Aluminium by molecular dynamics
|
Hoffrogge, Paul W.
|
|
2017
|
128 |
C |
p. 207-222
|
artikel
|
| 21 |
IFC
|
|
|
2017
|
128 |
C |
p. IFC
|
artikel
|
| 22 |
Impingement of edge dislocations on atomically rough contacts
|
Dikken, R.J.
|
|
2017
|
128 |
C |
p. 310-319
|
artikel
|
| 23 |
Lattice optimization of Si-Cu interfaces on atomic scale
|
Johansson, Dan
|
|
2017
|
128 |
C |
p. 59-66
|
artikel
|
| 24 |
Metastable phases, phase transformation and properties of AlAs based on first-principle study
|
Liu, Chao
|
|
2017
|
128 |
C |
p. 337-342
|
artikel
|
| 25 |
Molecular dynamics simulations of removal of cyanide from aqueous solution using boron nitride nanotubes
|
Azamat, Jafar
|
|
2017
|
128 |
C |
p. 8-14
|
artikel
|
| 26 |
Molecular dynamics simulations of substitutional diffusion
|
Zhou, X.W.
|
|
2017
|
128 |
C |
p. 331-336
|
artikel
|
| 27 |
Molecular dynamics study of strain rate effects on tensile behavior of single crystal titanium nanowire
|
Chang, Le
|
|
2017
|
128 |
C |
p. 348-358
|
artikel
|
| 28 |
Multi-scale, multi-physics modeling of electrochemical actuation of Ni nanohoneycomb in water
|
Zhang, Yuqi
|
|
2017
|
128 |
C |
p. 109-120
|
artikel
|
| 29 |
Native point defects in Ti3GeC2 and Ti2GeC
|
Assadi, M.H.N.
|
|
2017
|
128 |
C |
p. 103-108
|
artikel
|
| 30 |
On the plastic driving force of grain boundary migration: A fully coupled phase field and crystal plasticity model
|
Zhao, L.
|
|
2017
|
128 |
C |
p. 320-330
|
artikel
|
| 31 |
On the quantification of phase-field crystals model for computational simulations of solidification in metals
|
Nourian-Avval, Ahmad
|
|
2017
|
128 |
C |
p. 294-301
|
artikel
|
| 32 |
Phase-field simulation of the microstructure evolution in the eutectic NiAl-34Cr system
|
Kellner, Michael
|
|
2017
|
128 |
C |
p. 379-387
|
artikel
|
| 33 |
Quantum molecular dynamics: Accelerating diffusion via parallel replica method.
|
Novoselov, I.I.
|
|
2017
|
128 |
C |
p. 1-7
|
artikel
|
| 34 |
Relation of cooling rate, undercooling and structure for rapid solidification of iron melt
|
Xu, Junfeng
|
|
2017
|
128 |
C |
p. 98-102
|
artikel
|
| 35 |
Selecting reliable interatomic potentials for classical molecular dynamics simulations of glasses: The case of amorphous SiO2
|
Afify, N.D.
|
|
2017
|
128 |
C |
p. 75-80
|
artikel
|
| 36 |
Simulation insight into water transport mechanisms through multilayer graphene-based membrane
|
Shahbabaei, Majid
|
|
2017
|
128 |
C |
p. 87-97
|
artikel
|
| 37 |
Simulations of the inelastic response of silicon to shock compression
|
Stubley, P.G.
|
|
2017
|
128 |
C |
p. 121-126
|
artikel
|
| 38 |
Stone-Wales defects in graphene-like boron nitride-carbon heterostructures: Formation energies, structural properties, and reactivity
|
Petrushenko, Igor K.
|
|
2017
|
128 |
C |
p. 243-248
|
artikel
|
| 39 |
Swelling and dimensional stability of xyloglucan/montmorillonite nanocomposites in moist conditions from molecular dynamics simulations
|
Wang, Yan
|
|
2017
|
128 |
C |
p. 191-197
|
artikel
|
| 40 |
Theoretical study of two-dimensional boron silicide from first-principles
|
Li, Qiang
|
|
2017
|
128 |
C |
p. 22-28
|
artikel
|
| 41 |
Thermal conductivity of bulk and nanowire of cubic-SiC from ab initio calculations
|
Malakkal, Linu
|
|
2017
|
128 |
C |
p. 249-256
|
artikel
|
| 42 |
Transmission electron microscopy as a realistic data source for the micromagnetic simulation of polycrystalline nickel nanowires
|
França, C.A.
|
|
2017
|
128 |
C |
p. 42-44
|
artikel
|
| 43 |
Vibration characteristics of three-dimensional metallic carbon nanostructures with interlocking hexagons pattern (T6 and T14): A molecular dynamics study
|
Ajori, S.
|
|
2017
|
128 |
C |
p. 81-86
|
artikel
|
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