| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics
|
Fukuhara, Satoru
|
|
|
177 |
C |
p.
|
artikel
|
| 2 |
A comparative analysis of the phonon properties in UO2 using the Boltzmann transport equation coupled with DFT + U and empirical potentials
|
Torres, E.
|
|
|
177 |
C |
p.
|
artikel
|
| 3 |
Adaptive characterization of microstructure dataset using a two stage machine learning approach
|
Baskaran, Arun
|
|
|
177 |
C |
p.
|
artikel
|
| 4 |
An atomistic view of heat propagation from graphene to polyether ether ketone (PEEK)
|
Tsafack, Thierry
|
|
|
177 |
C |
p.
|
artikel
|
| 5 |
A theoretical investigation of the effect of fluorination and bromination on the optoelectronic properties of tetrathienophenazine derivatives
|
Lazaar, Koussai
|
|
|
177 |
C |
p.
|
artikel
|
| 6 |
Atomistic modeling of AlNbTaTiZr and VNbTaTiZr high entropy alloys
|
Debais, Gabriel
|
|
|
177 |
C |
p.
|
artikel
|
| 7 |
Be3BN3 monolayer with ultrawide band gap and promising stability for deep ultraviolet applications
|
Zhang, Haijun
|
|
|
177 |
C |
p.
|
artikel
|
| 8 |
Buckling of 2D nano hetero-structures with moire patterns
|
Chandra, Y.
|
|
|
177 |
C |
p.
|
artikel
|
| 9 |
Chercher de l'eau: The switching mechanism of the rotary switch ethyl-2-(2-(quinolin-8-yl)hydrazono)-2-(pyridin-2-yl)acetate
|
Deneva, V.
|
|
|
177 |
C |
p.
|
artikel
|
| 10 |
Comparative study of the ReaxFF and potential models with density functional theory for simulating hexagonal ice
|
Wang, Chunyang
|
|
|
177 |
C |
p.
|
artikel
|
| 11 |
Critical assessment of the interatomic potentials for the elastic properties of the noncarbon monolayer nanomaterials
|
Singh, Sandeep
|
|
|
177 |
C |
p.
|
artikel
|
| 12 |
Densification mechanism of GeO2 glass under high pressure: Insight from analyzation and visualization of molecular dynamics data
|
Anh, Nguyen Mai
|
|
|
177 |
C |
p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
|
177 |
C |
p.
|
artikel
|
| 14 |
Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculations
|
Hmok, H́Linh
|
|
|
177 |
C |
p.
|
artikel
|
| 15 |
Effects of halogen substitutions on the properties of CH3NH3Sn0.5Pb0.5I3 perovskites
|
Liu, Hui
|
|
|
177 |
C |
p.
|
artikel
|
| 16 |
Electronic and vibrational properties of pure MnPS3 crystal: Theoretical and experimental investigation
|
Babuka, T.
|
|
|
177 |
C |
p.
|
artikel
|
| 17 |
Experimental characterization and micromechanical-statistical modeling of 316L stainless steel processed by selective laser melting
|
Wang, Xue
|
|
|
177 |
C |
p.
|
artikel
|
| 18 |
Finite element simulation of the evolution process of inclusions in interconnects due to stress-induced interface migration
|
Jing, Yabin
|
|
|
177 |
C |
p.
|
artikel
|
| 19 |
First principles study of the elastic and thermodynamic properties of Mg-Al alloys
|
Zhu, Wenjie
|
|
|
177 |
C |
p.
|
artikel
|
| 20 |
First-principles study of the ideal shear strengths and stacking fault energies of face-centered cubic Al3Ti
|
Tang, Ping-Ying
|
|
|
177 |
C |
p.
|
artikel
|
| 21 |
Heat transport in disordered network forming materials: Size effects and existence of propagative modes
|
Duong, Thuy-Quynh
|
|
|
177 |
C |
p.
|
artikel
|
| 22 |
High figure of merit of monolayer Sb2Te2Se of ultra low lattice thermal conductivity
|
Xu, Bin
|
|
|
177 |
C |
p.
|
artikel
|
| 23 |
Interface dominated deformation mechanisms in two-phase fcc/B2 nanostructures: Nishiyama-Wasserman vs. Kurdjumov-Sachs interfaces
|
Choudhuri, Deep
|
|
|
177 |
C |
p.
|
artikel
|
| 24 |
Interfacial properties of pure and doped CdS/graphene composites: CdS(0001)/graphene and a CdS/graphene bilayer
|
Bendavid, Leah Isseroff
|
|
|
177 |
C |
p.
|
artikel
|
| 25 |
Intrinsic adsorption behaviour related to the structural and mechanical properties of flexible metal-organic frameworks Co(bdp)
|
Yang, Xiao
|
|
|
177 |
C |
p.
|
artikel
|
| 26 |
Layer thickness effects on the strengthening and toughening mechanisms in metallic glass-graphene nanolaminates
|
Xie, Zhuocheng
|
|
|
177 |
C |
p.
|
artikel
|
| 27 |
Manipulation of the dielectric properties of narrow-band gap material by an ultrashort laser pulse
|
Liu, Zehui
|
|
|
177 |
C |
p.
|
artikel
|
| 28 |
Mesoscopic study of thermal behavior, fluid dynamics and surface morphology during selective laser melting of Ti-based composites
|
Dai, Donghua
|
|
|
177 |
C |
p.
|
artikel
|
| 29 |
Molecular dynamics simulation of inert gas condensation of ternary Fe-Ni-Cr nanoparticles
|
Li, Bei
|
|
|
177 |
C |
p.
|
artikel
|
| 30 |
Molecular dynamics simulations of radiation damage generation and dislocation loop evolution in Ni and binary Ni-based alloys
|
Shan, Chang
|
|
|
177 |
C |
p.
|
artikel
|
| 31 |
Molecular reaction dynamics simulation of thermal decomposition for aluminiferous RDX composites
|
Zhao, Ying
|
|
|
177 |
C |
p.
|
artikel
|
| 32 |
Phase-field simulation of abnormal grain growth during carburization in Nb-added steel
|
Kinoshita, Takahisa
|
|
|
177 |
C |
p.
|
artikel
|
| 33 |
Screening stable and metastable ABO3 perovskites using machine learning and the materials project
|
Liu, Haiying
|
|
|
177 |
C |
p.
|
artikel
|
| 34 |
Shock waves in graphene and boron nitride
|
Shepelev, I.A.
|
|
|
177 |
C |
p.
|
artikel
|
| 35 |
Strain-induced novel properties of alloy nitride nanotubes
|
Marana, Naiara L.
|
|
|
177 |
C |
p.
|
artikel
|
| 36 |
Structural characteristics, diffusion mechanism and mechanical behaviour of cathode catalyst layer
|
Feng, C.
|
|
|
177 |
C |
p.
|
artikel
|
| 37 |
Symmetry transformation in Pd quasicrystals upon heating and hydrogenation
|
Dubinko, Vladimir
|
|
|
177 |
C |
p.
|
artikel
|
| 38 |
Tensile strength and failure mechanism of hcp zirconium nanowires: Effect of diameter, temperature and strain rate
|
Guder, Vildan
|
|
|
177 |
C |
p.
|
artikel
|
| 39 |
The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach
|
Smith, Andrew
|
|
|
177 |
C |
p.
|
artikel
|
| 40 |
The effect of rhenium on the diffusion of small interstitial clusters in tungsten
|
Castin, N.
|
|
|
177 |
C |
p.
|
artikel
|
| 41 |
The synergistic effects of energy barriers and shear directions on twinning in face centered cubic metals
|
Sun, Haoran
|
|
|
177 |
C |
p.
|
artikel
|
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