| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio GGA+U investigations of the electronic properties and magnetic orderings in Mn, Gd doped ZB/WZ structural CdSe
|
Kong, Bo
|
|
|
142 |
C |
p. 14-24
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artikel
|
| 2 |
A comparative study of molecular dynamics simulation methods for evaluation of the thermal conductivity and phonon transport in Si nanowires
|
Soleimani, Alireza
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|
|
142 |
C |
p. 346-354
|
artikel
|
| 3 |
An interatomic potential for the Li-Co-O ternary system
|
Lee, Eunkoo
|
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142 |
C |
p. 47-58
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artikel
|
| 4 |
A phase-field model investigating the role of elastic strain energy during the growth of closely spaced neighbouring interphase precipitates
|
Rahnama, Alireza
|
|
|
142 |
C |
p. 437-443
|
artikel
|
| 5 |
Atomic-scale dynamics and mechanical response of geopolymer binder under nanoindentation
|
Sadat, Mohammad Rafat
|
|
|
142 |
C |
p. 227-236
|
artikel
|
| 6 |
Atomistic-scale simulations of mechanical behavior of suspended single-walled carbon nanotube bundles under nanoprojectile impact
|
Liu, Dongrong
|
|
|
142 |
C |
p. 237-243
|
artikel
|
| 7 |
Atomistic simulation of Si-Au melt crystallization with novel interatomic potential
|
Starikov, S.V.
|
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|
142 |
C |
p. 303-311
|
artikel
|
| 8 |
Atomistic study on the super-elasticity of single crystal bulk NiTi shape memory alloy under adiabatic condition
|
Wang, Bing
|
|
|
142 |
C |
p. 38-46
|
artikel
|
| 9 |
Breathing bands due to molecular order in CH3NH3PbI3
|
Wierzbowska, Małgorzata
|
|
|
142 |
C |
p. 361-371
|
artikel
|
| 10 |
CA method with machine learning for simulating the grain and pore growth of aluminum alloys
|
Hu, Yuanyuan
|
|
|
142 |
C |
p. 244-254
|
artikel
|
| 11 |
Combined notch and size effect modeling in a local probabilistic approach for LCF
|
Mäde, L.
|
|
|
142 |
C |
p. 377-388
|
artikel
|
| 12 |
Competitive adsorption of gases dissolved in transformer oil on Co-doped ZnO (0001) surface
|
Xiao, Gongwei
|
|
|
142 |
C |
p. 72-81
|
artikel
|
| 13 |
Computational study of phase engineered transition metal dichalcogenides heterostructures
|
Ma, Jiachen
|
|
|
142 |
C |
p. 129-134
|
artikel
|
| 14 |
Deformation twinning and dislocation processes in nanotwinned copper by molecular dynamics simulations
|
Zhao, Xing
|
|
|
142 |
C |
p. 59-71
|
artikel
|
| 15 |
Determination of JMAK dynamic recrystallization parameters through FEM optimization techniques
|
Irani, Missam
|
|
|
142 |
C |
p. 178-184
|
artikel
|
| 16 |
Development of a parallel adaptive multigrid algorithm for solving the multi-scale thermal-solute 3D phase-field problems
|
Wu, Jun
|
|
|
142 |
C |
p. 89-98
|
artikel
|
| 17 |
Displacement thresholds and knock-on cross sections for hydrogenated h-BN monolayers
|
Kumar, Rajesh
|
|
|
142 |
C |
p. 82-88
|
artikel
|
| 18 |
Effect of particle-matrix coherency on Zener pinning: A phase-field approach
|
Chang, Kunok
|
|
|
142 |
C |
p. 297-302
|
artikel
|
| 19 |
Effects of alloying elements on the elastic properties of bcc Ti-X alloys from first-principles calculations
|
Marker, Cassie
|
|
|
142 |
C |
p. 215-226
|
artikel
|
| 20 |
Elastic properties of high entropy alloys by MaxEnt approach
|
Zheng, Shu-min
|
|
|
142 |
C |
p. 332-337
|
artikel
|
| 21 |
Electronic structure and optical properties of bismuth chalcogenides Bi2Q3 (Q = O, S, Se, Te) by first-principles calculations
|
Deng, Jie
|
|
|
142 |
C |
p. 312-319
|
artikel
|
| 22 |
Electronic structure, vibronic properties and enhanced magnetic anisotropy induced by tetragonal symmetry in ternary iron nitrides: A first-principles study
|
Li, Z.R.
|
|
|
142 |
C |
p. 145-152
|
artikel
|
| 23 |
Enhanced works of separation for (0 0 0 1)ZnO|(1 1 1)ZrO2 interfaces via ion-doping in ZnO: Data-mining and density function theory study
|
Sun, Wenming
|
|
|
142 |
C |
p. 410-416
|
artikel
|
| 24 |
Evolution of atomic and electronic structures of TaP under high pressure
|
Zhang, Jingyun
|
|
|
142 |
C |
p. 320-324
|
artikel
|
| 25 |
First principles band gap engineering of [1 1 0] oriented 3C-SiC nanowires
|
Cuevas, José Luis
|
|
|
142 |
C |
p. 268-276
|
artikel
|
| 26 |
First principles calculations for iodine atom diffusion in SiC with point defects
|
Tu, Rui
|
|
|
142 |
C |
p. 427-436
|
artikel
|
| 27 |
First-principles study of the surface properties of U-Mo system
|
Mei, Zhi-Gang
|
|
|
142 |
C |
p. 355-360
|
artikel
|
| 28 |
High-speed collision of copper nanoparticles with aluminum surface: Inclined impact, interaction with roughness and multiple impact
|
Pogorelko, Victor V.
|
|
|
142 |
C |
p. 108-121
|
artikel
|
| 29 |
IFC
|
|
|
|
142 |
C |
p. IFC
|
artikel
|
| 30 |
Interfacial thermal resistance between few-layer MoS2 and silica substrates: A molecular dynamics study
|
Farahani, Hamid
|
|
|
142 |
C |
p. 1-6
|
artikel
|
| 31 |
Investigation on tensile properties of nanocrystalline titanium with ultra-small grain size
|
Chang, Le
|
|
|
142 |
C |
p. 135-144
|
artikel
|
| 32 |
Layered heterostructures based on graphene, hexagonal zinc oxide and molybdenum disulfide: Modeling of geometry and electronic properties
|
Kvashnin, Alexander G.
|
|
|
142 |
C |
p. 32-37
|
artikel
|
| 33 |
Light impurity atoms as the probes for the electronic structures of actinide dioxides
|
Ao, Bingyun
|
|
|
142 |
C |
p. 25-31
|
artikel
|
| 34 |
McPhase model calculations of the magnetic phase diagram of CeCu2Ge2 – Prediction of a double q magnetic structure
|
Rotter, M.
|
|
|
142 |
C |
p. 206-214
|
artikel
|
| 35 |
Molecular dynamics simulations of tensile deformation of gradient nano-grained copper film
|
Zhou, Kai
|
|
|
142 |
C |
p. 389-394
|
artikel
|
| 36 |
Molecular junctions for thermal transport between graphene nanoribbons: Covalent bonding vs. interdigitated chains
|
Di Pierro, Alessandro
|
|
|
142 |
C |
p. 255-260
|
artikel
|
| 37 |
Molecular simulations of fragility of linear and ring polymers
|
Nie, Yijing
|
|
|
142 |
C |
p. 200-205
|
artikel
|
| 38 |
Multiscale modeling of the viscoelastic properties of CNT/polymer nanocomposites, using complex and time-dependent homogenizations
|
Shajari, Ali R.
|
|
|
142 |
C |
p. 395-409
|
artikel
|
| 39 |
Non-Schmid behavior of extended dislocations in computer simulations of magnesium
|
Ostapovets, Andriy
|
|
|
142 |
C |
p. 261-267
|
artikel
|
| 40 |
Phase-dependent mechanical properties of two-dimensional silica films: A molecular dynamics study
|
Zhang, Jin
|
|
|
142 |
C |
p. 7-13
|
artikel
|
| 41 |
Pressure-dependent structural, elastic, electronic and vibrational studies of Ba2InMO6 (M=Ta, Nb) from first principles
|
Zhang, Shaobo
|
|
|
142 |
C |
p. 99-107
|
artikel
|
| 42 |
Proton conduction of fuel cell polymer membranes: Molecular dynamics simulation
|
Rao, Zhonghao
|
|
|
142 |
C |
p. 122-128
|
artikel
|
| 43 |
Quantitative 3D phase field modelling of solidification using next-generation adaptive mesh refinement
|
Greenwood, Michael
|
|
|
142 |
C |
p. 153-171
|
artikel
|
| 44 |
Quasiharmonic calculations of thermodynamic properties for La3−xTe4 system
|
Wang, Yi
|
|
|
142 |
C |
p. 417-426
|
artikel
|
| 45 |
Radiation tolerance of nanotwinned metals – An atomistic perspective
|
Jiao, Shuyin
|
|
|
142 |
C |
p. 290-296
|
artikel
|
| 46 |
Room-temperature ferromagnetism in alkaline-earth-metal doped AlP: First-principle calculations
|
Wang, Shiyao
|
|
|
142 |
C |
p. 338-345
|
artikel
|
| 47 |
Strain effects on electronic structures of monolayer iron sulphide and selenide
|
Winiarski, M.J.
|
|
|
142 |
C |
p. 372-376
|
artikel
|
| 48 |
Structural and electronic properties of MnSi under high pressure: A first-principles calculation
|
Guo, Shihui
|
|
|
142 |
C |
p. 285-289
|
artikel
|
| 49 |
The atomistic simulation study of Ag/MgO interface tension fracture
|
You, X.M.
|
|
|
142 |
C |
p. 277-284
|
artikel
|
| 50 |
The effect of B on solid solution structure and preferred orientation of vapor-deposited Al-B thin film: A first-principles study
|
Sun, Shiyang
|
|
|
142 |
C |
p. 325-331
|
artikel
|
| 51 |
Theoretical study of accumulation electron layers at ITO-dielectric interfaces and related nanostructures
|
Li, Liang
|
|
|
142 |
C |
p. 172-177
|
artikel
|
| 52 |
The role of Cr on oxide formation in Ni-Cr alloys: A theoretical study
|
Hong, Ki-Ha
|
|
|
142 |
C |
p. 185-191
|
artikel
|
| 53 |
Understanding the structural evolution under the oscillatory shear field to determine the viscoelastic behavior of nanorod filled polymer nanocomposites
|
Gao, Yangyang
|
|
|
142 |
C |
p. 192-199
|
artikel
|
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