| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A continuous model including elastodiffusion for sink strength calculation of interfaces
|
Jourdan, T.
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|
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153 |
C |
p. 473-478
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artikel
|
| 2 |
A critical study of the parameters governing molecular dynamics simulations of nanostructured materials
|
Alian, A.R.
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153 |
C |
p. 183-199
|
artikel
|
| 3 |
A density functional theory study of CO methanation mechanism on Ni4/SiC catalyst
|
Han, Xiaoxia
|
|
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153 |
C |
p. 399-408
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artikel
|
| 4 |
A diffusive dynamic brittle fracture model for heterogeneous solids and porous materials with implementation using a user-element subroutine
|
Pillai, Udit
|
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153 |
C |
p. 36-47
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artikel
|
| 5 |
An ab initio study on stacking and stability of TiAl3 phases
|
Fang, C.M.
|
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153 |
C |
p. 309-314
|
artikel
|
| 6 |
An improved modified embedded-atom method potential to fit the properties of silicon at high temperature
|
Huang, Xiusong
|
|
|
153 |
C |
p. 251-257
|
artikel
|
| 7 |
An in-depth investigation of Mg-Zn-Ca metallic glasses: A first principles study
|
Erkartal, Mustafa
|
|
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153 |
C |
p. 326-337
|
artikel
|
| 8 |
Artificial neural network modeling to evaluate polyvinylchloride composites’ properties
|
Altarazi, Safwan
|
|
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153 |
C |
p. 1-9
|
artikel
|
| 9 |
Atomic ordering in the liquid adjacent to an atomically rough solid surface
|
Jiang, B.
|
|
|
153 |
C |
p. 73-81
|
artikel
|
| 10 |
Atomic rearrangements at migration of symmetric tilt grain boundaries in vanadium
|
Kryzhevich, Dmitrij S.
|
|
|
153 |
C |
p. 445-448
|
artikel
|
| 11 |
A unified model for the uniaxial and hydrostatic pressure dependence of Tc in YBa2Cu3O x (x ≈ 6.95–7.0)
|
Cao, Jin-Jin
|
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|
153 |
C |
p. 268-274
|
artikel
|
| 12 |
Calculation of electronic and optical properties of surface InxGa1−xP and indium-gradient structure on GaP (0 0 1)
|
Liu, XueFei
|
|
|
153 |
C |
p. 356-362
|
artikel
|
| 13 |
Core electron level shifts in zirconium induced by vacancy, helium and hydrogen
|
Svyatkin, L.A.
|
|
|
153 |
C |
p. 176-182
|
artikel
|
| 14 |
Deformation of metals under dynamic loading: Characterization via atomic-scale orientation mapping
|
E, J.C.
|
|
|
153 |
C |
p. 338-347
|
artikel
|
| 15 |
Direct band gap tunability of the LiYF4 crystal through high-pressure applications
|
Luong, Mui Viet
|
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|
153 |
C |
p. 431-437
|
artikel
|
| 16 |
Dislocation mobility and Peierls stress of c-type screw dislocations in GaN from molecular dynamics
|
Weingarten, N. Scott
|
|
|
153 |
C |
p. 409-416
|
artikel
|
| 17 |
Diverse electron transfer behavior through saturated molecular chains: From molecular insulator to semiconductor
|
Cheng, Na
|
|
|
153 |
C |
p. 200-207
|
artikel
|
| 18 |
Editorial Board
|
|
|
|
153 |
C |
p. ii
|
artikel
|
| 19 |
Effect of HPAM hydrolysis degree on catanionic mixtures of DTAB/HPAM: A coarse-grained molecular dynamic simulation
|
Hu, Songqing
|
|
|
153 |
C |
p. 134-140
|
artikel
|
| 20 |
Effect of hydrostatic pressure on thermally induced phase transformation in NiTi alloy: A molecular dynamics study
|
Wan, Jia-Lu
|
|
|
153 |
C |
p. 119-125
|
artikel
|
| 21 |
Efficiency of Generalized Regular k -point grids
|
Morgan, Wiley S.
|
|
|
153 |
C |
p. 424-430
|
artikel
|
| 22 |
Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet
|
Tagani, Meysam Bagheri
|
|
|
153 |
C |
p. 126-133
|
artikel
|
| 23 |
Electronic properties of RX 2 Al20 (R = La, Ce, Yb, Th, U; X = Ti, V, Cr and Mn) cage compounds
|
Swatek, Przemysław
|
|
|
153 |
C |
p. 461-472
|
artikel
|
| 24 |
Electronic structure and magnetic properties of Ca2IrO4, using first principles
|
Singh, Vijeta
|
|
|
153 |
C |
p. 97-102
|
artikel
|
| 25 |
Evaluation of the reactive molecular dynamics method for Research on flame retardants: ATH-filled polyethylene
|
Vaari, Jukka
|
|
|
153 |
C |
p. 103-112
|
artikel
|
| 26 |
First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu)
|
Garrett, Kerry E.
|
|
|
153 |
C |
p. 146-152
|
artikel
|
| 27 |
First principles study of the electronic properties and Schottky barrier in vertically stacked graphene on the Janus MoSeS under electric field
|
Pham, Khang D.
|
|
|
153 |
C |
p. 438-444
|
artikel
|
| 28 |
Formation mechanism of reverse kebab structure inside hollow nanotubes studied by molecular simulations
|
Wu, Haitao
|
|
|
153 |
C |
p. 348-355
|
artikel
|
| 29 |
Improved LDA-1/2 method for band structure calculations in covalent semiconductors
|
Xue, Kan-Hao
|
|
|
153 |
C |
p. 493-505
|
artikel
|
| 30 |
Improvement of multiferroic property and change of magnetic ordering in new ANiO3 (A = Ti, Ge, Zr, Sn, Hf and Pb)
|
Lacerda, Luis Henrique da Silveira
|
|
|
153 |
C |
p. 228-234
|
artikel
|
| 31 |
Initial oxidation of ZrB2(0 0 0 1) from first-principles calculations
|
Cheng, Chunyu
|
|
|
153 |
C |
p. 282-287
|
artikel
|
| 32 |
Insight on the sodium and chloride ions adsorption mechanism on the ettringite crystal: Structure, dynamics and interfacial interaction
|
Hou, Dongshuai
|
|
|
153 |
C |
p. 479-492
|
artikel
|
| 33 |
Intelligent design optimization of age-hardenable Al alloys
|
Dey, Swati
|
|
|
153 |
C |
p. 315-325
|
artikel
|
| 34 |
Interfacial stability, electronic property, and surface reactivity of α-MoO3/γ-Al2O3 composites: DFT and DFT + U calculations
|
Yu, Mingyuan
|
|
|
153 |
C |
p. 217-227
|
artikel
|
| 35 |
Long-range interactions in Mg-Al-rare earth alloys with 10H-type long-period stacking ordered structure
|
Murakami, T.
|
|
|
153 |
C |
p. 297-302
|
artikel
|
| 36 |
Magnetocrystalline effects on the subsurface hydrogen diffusion in γ-Fe(0 0 1)
|
Chohan, U.K.
|
|
|
153 |
C |
p. 57-63
|
artikel
|
| 37 |
Mechanical and electronic properties of graphene nanomesh heterojunctions
|
Zhang, Ji
|
|
|
153 |
C |
p. 64-72
|
artikel
|
| 38 |
Molecular dynamics simulation to investigate the orientation effects on nanoscale cutting of single crystal copper
|
Sharma, A.
|
|
|
153 |
C |
p. 241-250
|
artikel
|
| 39 |
Molecular dynamics studies on the strengthening mechanism of Al matrix composites reinforced by grapnene nanoplatelets
|
Rong, Y.
|
|
|
153 |
C |
p. 48-56
|
artikel
|
| 40 |
Molecular dynamics study of two dimensional silicon dioxides with in-plane negative Poisson’s ratio
|
Safaei, Sina
|
|
|
153 |
C |
p. 258-267
|
artikel
|
| 41 |
Molecular dynamics study on the mechanical properties of carbon doped single-layer polycrystalline boron-nitride nanosheets
|
Jam, Amir Namazian
|
|
|
153 |
C |
p. 16-27
|
artikel
|
| 42 |
Multiscale modeling of the interface effects in CNT-epoxy nanocomposites
|
Li, Y.
|
|
|
153 |
C |
p. 363-381
|
artikel
|
| 43 |
NiFe local ordering in segregated Ni3Fe alloys: A simulation study using angular dependent potential
|
Mangla, Anil
|
|
|
153 |
C |
p. 449-460
|
artikel
|
| 44 |
Numerical investigation of effects of nucleation mechanisms on grain structure in metal additive manufacturing
|
Li, Xuxiao
|
|
|
153 |
C |
p. 159-169
|
artikel
|
| 45 |
On the topology and size advantage of potentially abnormal grains
|
Zöllner, Dana
|
|
|
153 |
C |
p. 382-391
|
artikel
|
| 46 |
Phase-field modeling of Li-insertion kinetics in single LiFePO4-nano-particles for rechargeable Li-ion battery application
|
Fleck, Michael
|
|
|
153 |
C |
p. 288-296
|
artikel
|
| 47 |
Size dependence of the entropies of melting and crystallisation of metal nanoparticles
|
Sdobnyakov, N.Yu.
|
|
|
153 |
C |
p. 153-158
|
artikel
|
| 48 |
Slow relaxation dynamics in binary glasses during stress-controlled, tension-compression cyclic loading
|
Priezjev, Nikolai V.
|
|
|
153 |
C |
p. 235-240
|
artikel
|
| 49 |
Stability and electronic properties of sulfur terminated two-dimensional early transition metal carbides and nitrides (MXene)
|
Yang, Jianhui
|
|
|
153 |
C |
p. 303-308
|
artikel
|
| 50 |
Strain tunable ionic transport properties and electrochemical window of Li10GeP2S12 superionic conductor
|
Chen, Bingbing
|
|
|
153 |
C |
p. 170-175
|
artikel
|
| 51 |
Strengthening effects of encapsulating graphene in SiC particle-reinforced Al-matrix composites
|
Tang, X.C.
|
|
|
153 |
C |
p. 275-281
|
artikel
|
| 52 |
The effect of solutes on the precipitate/matrix interface properties in the Vanadium alloys: A first-principles study
|
Zhang, Xingming
|
|
|
153 |
C |
p. 113-118
|
artikel
|
| 53 |
The property of surface heterojunction performed by crystal facets for photogenerated charge separation
|
Wei, Zhengde
|
|
|
153 |
C |
p. 28-35
|
artikel
|
| 54 |
Thermoelectric effect in superlattices; applicability of coherent and incoherent transport models
|
Musland, Lars
|
|
|
153 |
C |
p. 88-96
|
artikel
|
| 55 |
The role of electronic and crystal structure in the effect of volumetric band convergence
|
Pelenitsyn, Vladislav
|
|
|
153 |
C |
p. 141-145
|
artikel
|
| 56 |
Tunable magnetic and electronic properties in 3d transition-metal adsorbed β12 and χ3 borophene
|
Jiang, Jiawei
|
|
|
153 |
C |
p. 10-15
|
artikel
|
| 57 |
Tuning electronic and transport properties of MoS2/Ti2C heterostructure by external strain and electric field
|
Li, Chenliang
|
|
|
153 |
C |
p. 417-423
|
artikel
|
| 58 |
Unconventional behavior of gas molecules on Fe (1 1 1)
|
Yao, Canglang
|
|
|
153 |
C |
p. 82-87
|
artikel
|
| 59 |
Understanding the improved stability and reduced thermal conductivity of yttria stabilized zirconia: A combined experimental and atomistic modeling study
|
Gul, Sahar Ramin
|
|
|
153 |
C |
p. 208-216
|
artikel
|
| 60 |
Uniaxial compression behavior and spectroscopic properties of the explosive pentaerythritol tetranitrate from first-principles calculations
|
Su, Yan
|
|
|
153 |
C |
p. 392-398
|
artikel
|
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