| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces
|
Jay, Antoine
|
|
|
209 |
C |
p.
|
artikel
|
| 2 |
Active learning and molecular dynamics simulations to find high melting temperature alloys
|
Farache, David E.
|
|
|
209 |
C |
p.
|
artikel
|
| 3 |
A molecular study of humid CO2 adsorption capacity by Mg-MOF-74 surfaces with ligand functionalization
|
Yang, Yuhang
|
|
|
209 |
C |
p.
|
artikel
|
| 4 |
An atomistic simulation study of rapid solidification kinetics and crystal defects in dilute Al–Cu alloys
|
Haapalehto, Matias
|
|
|
209 |
C |
p.
|
artikel
|
| 5 |
A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes
|
McElfresh, Cameron
|
|
|
209 |
C |
p.
|
artikel
|
| 6 |
A simulation study on the electromagnetic structure and optical properties of Co doped TiO2
|
XuDong, Gao
|
|
|
209 |
C |
p.
|
artikel
|
| 7 |
Assessment of meta-atom scheme for nucleation of dislocation loops in TWIP steel
|
Kumari, Sweta
|
|
|
209 |
C |
p.
|
artikel
|
| 8 |
BELLO: A post-processing tool for the local-order analysis of disordered systems
|
Dianat, Behnood
|
|
|
209 |
C |
p.
|
artikel
|
| 9 |
Combined effects of interphase-boundary advection and migration during particle growth or dissolution
|
Montheillet, F.
|
|
|
209 |
C |
p.
|
artikel
|
| 10 |
Compression-torsion coupling behaviours in double-helix nanofibers assembled from negatively curved nanographenes
|
Zhang, Jin
|
|
|
209 |
C |
p.
|
artikel
|
| 11 |
Core structure and Peierls barrier of basal edge dislocations in Ti 3 AlC 2 MAX phase
|
Hossain, Rana
|
|
|
209 |
C |
p.
|
artikel
|
| 12 |
Coupled model for carbon partitioning, diffusion, Cottrell atmosphere formation and cementite precipitation in martensite during quenching
|
Pohjonen, Aarne
|
|
|
209 |
C |
p.
|
artikel
|
| 13 |
Dynamic deformation of Al under shock loading
|
Zhao, Kai
|
|
|
209 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
|
209 |
C |
p.
|
artikel
|
| 15 |
Effect of lattice distortion and nanovoids on the shock compression behavior of (Co-Cr-Cu-Fe-Ni) high entropy alloy
|
Kumar Singh, Sandeep
|
|
|
209 |
C |
p.
|
artikel
|
| 16 |
Exploring the stable structures and photovoltaic properties of an ideal pseudo-binary alloy: Indium gallium phosphide
|
Xue, Pengyan
|
|
|
209 |
C |
p.
|
artikel
|
| 17 |
Extended Wagner-type models and their application to the prediction of the transition from internal to external oxidation
|
Huin, Didier
|
|
|
209 |
C |
p.
|
artikel
|
| 18 |
First principle design of new thermoelectrics from TiNiSn based pentanary alloys based on 18 valence electron rule
|
Choudhary, Mukesh K.
|
|
|
209 |
C |
p.
|
artikel
|
| 19 |
First-principles calculations to investigate the polymorph effects of CuAlO2
|
Chen, Xian-Lan
|
|
|
209 |
C |
p.
|
artikel
|
| 20 |
Graphene-assisted wetting transition on grooved surfaces: A molecular dynamics study
|
Ma, Hechuan
|
|
|
209 |
C |
p.
|
artikel
|
| 21 |
Hybrid microstructure-defect printability map in laser powder bed fusion additive manufacturing
|
Huang, Xueqin
|
|
|
209 |
C |
p.
|
artikel
|
| 22 |
Hydrogen localization and cluster formation in α-Zr from first-principles investigations
|
Andolina, Christopher M.
|
|
|
209 |
C |
p.
|
artikel
|
| 23 |
Investigating residual stress evolution in the deposition process of diamond-like carbon film through molecular dynamics
|
Kametani, Noritsugu
|
|
|
209 |
C |
p.
|
artikel
|
| 24 |
Machine learning for imbalanced datasets: Application in prediction of 3d-5d double perovskite structures
|
Zheng, Wendi
|
|
|
209 |
C |
p.
|
artikel
|
| 25 |
Machine learning predicted magnetic entropy change using chemical descriptors across a large compositional landscape
|
Ucar, Huseyin
|
|
|
209 |
C |
p.
|
artikel
|
| 26 |
Molecular dynamics study on mechanical properties of helical graphenes/epoxy nanocomposites
|
Zhu, Chunhua
|
|
|
209 |
C |
p.
|
artikel
|
| 27 |
Molecular hydrogen sorption capacity of P216-schwarzite: PM6-D3, MP2 and QTAIM approaches
|
Krasnov, Pavel O.
|
|
|
209 |
C |
p.
|
artikel
|
| 28 |
Molecular insight into iron corrosion induced by chloride and sulphate
|
Chen, Zheng
|
|
|
209 |
C |
p.
|
artikel
|
| 29 |
Multiscale investigation of magnetic field distortion on surface of ferromagnetic materials caused by stress concentration for metal magnetic memory method
|
Qiu, Guotao
|
|
|
209 |
C |
p.
|
artikel
|
| 30 |
Multiscale simulation of powder-bed fusion processing of metallic alloys
|
Elahi, S.M.
|
|
|
209 |
C |
p.
|
artikel
|
| 31 |
Nanoindentation of nanoporous tungsten: A molecular dynamics approach
|
Valencia, Felipe J.
|
|
|
209 |
C |
p.
|
artikel
|
| 32 |
Pairwise interactions for potential energy surfaces and atomic forces using deep neural networks
|
Nguyen, Van-Quyen
|
|
|
209 |
C |
p.
|
artikel
|
| 33 |
Perovskite CsPbBr3 decorating PbS nanocrystals for efficient near-infrared light-emitting diodes: A first-principles study
|
Zhang, Lingxia
|
|
|
209 |
C |
p.
|
artikel
|
| 34 |
Pore size distribution of carbon black: An approach from a coarse-grained potential
|
Vélez, Patricio
|
|
|
209 |
C |
p.
|
artikel
|
| 35 |
Recognition and segmentation of complex texture images based on superpixel algorithm and deep learning
|
Han, Yuexing
|
|
|
209 |
C |
p.
|
artikel
|
| 36 |
Spin-lattice dynamics simulation of the Einstein–de Haas effect
|
Dednam, W.
|
|
|
209 |
C |
p.
|
artikel
|
| 37 |
Stochastic core–shell (SCS) approximation for accelerated atomistic modeling of irradiation-induced damage in materials
|
Torres, E.
|
|
|
209 |
C |
p.
|
artikel
|
| 38 |
Study of band alignment type in Janus HfSe2/Ga2SeS and HfSeS/GaSe heterostructures
|
Zhang, Yi
|
|
|
209 |
C |
p.
|
artikel
|
| 39 |
Surface reconstruction of oxidized platinum nanoparticles using classical molecular dynamics simulations
|
Slapikas, Robert
|
|
|
209 |
C |
p.
|
artikel
|
| 40 |
Tensile characteristics of boron nanotubes by using reactive molecular dynamics simulations
|
Caliskan, Erdem
|
|
|
209 |
C |
p.
|
artikel
|
| 41 |
The effect of stress on the migration of He gas bubbles under a thermal gradient in Fe by phase-field modeling
|
Wen, Peng
|
|
|
209 |
C |
p.
|
artikel
|
| 42 |
Thermal decomposition of core–shell structured HMX@Al nanoparticle simulated by reactive molecular dynamics
|
Ji, Jincheng
|
|
|
209 |
C |
p.
|
artikel
|
| 43 |
Tunable electronic and magnetic properties of two-dimensional magnetic semiconductor VIBr 2
|
Mukherjee, T.
|
|
|
209 |
C |
p.
|
artikel
|
| 44 |
Understanding the effect of temperature, concentration, and substrate material on CaCO3 scaling: Molecular dynamics simulations and density functional theory
|
You, Danni
|
|
|
209 |
C |
p.
|
artikel
|
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