| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Activation energy of homogeneous nucleation of Zr hydride: Density functional theory calculation
|
Ishii, Akio
|
|
|
215 |
C |
p.
|
artikel
|
| 2 |
A feasibility study of machine learning-assisted alloy design using wrought aluminum alloys as an example
|
J. Soofi, Yasaman
|
|
|
215 |
C |
p.
|
artikel
|
| 3 |
An efficient grain remapping algorithm for phase-field modeling of dynamic recrystallization
|
Zhang, Qi
|
|
|
215 |
C |
p.
|
artikel
|
| 4 |
A phase-field model for void and gas bubble superlattice formation in irradiated solids
|
Aagesen, Larry K.
|
|
|
215 |
C |
p.
|
artikel
|
| 5 |
Basic study of the relaxation volume of crystalline defects in bcc iron
|
El-Bakouri El-Haddaji, M.
|
|
|
215 |
C |
p.
|
artikel
|
| 6 |
BCN diamondol-like compounds: Stability trends and electronic properties
|
Pinto, A.K.M.
|
|
|
215 |
C |
p.
|
artikel
|
| 7 |
Combustion mechanisms of core–shell structured aluminized explosives under oxygen atmosphere: Reactive molecular dynamics simulations
|
Ji, Jincheng
|
|
|
215 |
C |
p.
|
artikel
|
| 8 |
Data assimilation with phase-field lattice Boltzmann method for dendrite growth with liquid flow and solid motion
|
Yamamura, Ayano
|
|
|
215 |
C |
p.
|
artikel
|
| 9 |
Data-driven based phase constitution prediction in high entropy alloys
|
Han, Qinan
|
|
|
215 |
C |
p.
|
artikel
|
| 10 |
Data-driven models for structure-property prediction in additively manufactured steels
|
Sadeghpour, Ebrahim
|
|
|
215 |
C |
p.
|
artikel
|
| 11 |
Density functional theory-informed dislocation density hardening within crystal plasticity: Application to modeling deformation of Ni polycrystals
|
Eghtesad, Adnan
|
|
|
215 |
C |
p.
|
artikel
|
| 12 |
Editorial Board
|
|
|
|
215 |
C |
p.
|
artikel
|
| 13 |
Effect of rigid body motion in phase-field models of solid-state sintering
|
Seiz, Marco
|
|
|
215 |
C |
p.
|
artikel
|
| 14 |
Effect of short-range ordering and grain boundary segregation on shear deformation of CoCrFeNi high-entropy alloys with Al addition
|
Babicheva, Rita
|
|
|
215 |
C |
p.
|
artikel
|
| 15 |
Effects of tensile strain on the electronic, optical and ferroelectric properties of a multifunctional R3c InFeO3 compound
|
Souza, J.S.
|
|
|
215 |
C |
p.
|
artikel
|
| 16 |
First-principles calculations study of TiS2/Ti2CS2 heterostructure as an anode material for Li/Na/K-ion batteries
|
Zhang, Zhongyong
|
|
|
215 |
C |
p.
|
artikel
|
| 17 |
Fundamental analysis of deformation behavior in core-shell heterostructured materials
|
Kim, Yongju
|
|
|
215 |
C |
p.
|
artikel
|
| 18 |
High-throughput informed machine learning models for ultrastrong B-N solids
|
Zheng, Zhiyang
|
|
|
215 |
C |
p.
|
artikel
|
| 19 |
Investigations on the role of chemical short-range order in the tensile deformation of FCC Co30Fe16.67Ni36.67Ti16.67 high-entropy alloys via Monte Carlo and molecular dynamics hybrid simulations
|
Niu, Yihan
|
|
|
215 |
C |
p.
|
artikel
|
| 20 |
Limiting velocities and transonic dislocations in Mg
|
Dang, Khanh
|
|
|
215 |
C |
p.
|
artikel
|
| 21 |
Machine-learning model for prediction of martensitic transformation temperature in NiMnSn-based ferromagnetic shape memory alloys
|
Tian, Xiaohua
|
|
|
215 |
C |
p.
|
artikel
|
| 22 |
Mobile ions site identification through the isoconfigurational ensemble to reveal the ion dynamics diversity in a glass
|
Balbuena, C.
|
|
|
215 |
C |
p.
|
artikel
|
| 23 |
Molecular dynamics simulation of the tensile response and deformation mechanism of diamond/TiC combinations
|
Zhou, Jiahe
|
|
|
215 |
C |
p.
|
artikel
|
| 24 |
Molecular dynamics simulations on photoinduced switchable Tg and self-healing behaviors of azobenzene-containing polymers
|
Zhang, Yongqin
|
|
|
215 |
C |
p.
|
artikel
|
| 25 |
Molecular dynamics simulation to elucidate effects of spatial geometry on interactions between an edge dislocation and rigid, impenetrable precipitate in Cu
|
Tsugawa, K.
|
|
|
215 |
C |
p.
|
artikel
|
| 26 |
Multi-methodological study of temperature trends in Mössbauer effect in Sn
|
Friák, Martin
|
|
|
215 |
C |
p.
|
artikel
|
| 27 |
Performance of different traditional and machine learning-based atomistic potential functions in the simulation of mechanical behavior of Fe nanowires
|
Sajad Mousavi Nejad Souq, Seyyed
|
|
|
215 |
C |
p.
|
artikel
|
| 28 |
Phase-field study on the formation of α variant clusters induced by elastoplastic stress field around the void in titanium alloys
|
Zhang, Jinhu
|
|
|
215 |
C |
p.
|
artikel
|
| 29 |
Simulation of diffusion with non-equilibrium vacancies, Kirkendall shift and porosity in single-phase alloys
|
Gheno, Thomas
|
|
|
215 |
C |
p.
|
artikel
|
| 30 |
Site-dependent mechanical properties of 3d transition metal-doped MnV intrinsic ductile intermetallic: First-principles and data mining study
|
Benaissa, Mohammed
|
|
|
215 |
C |
p.
|
artikel
|
| 31 |
Solidification shrinkage and shrinkage-induced melt convection and their relation with solute segregation in binary alloys
|
Ma, Chuanzhen
|
|
|
215 |
C |
p.
|
artikel
|
| 32 |
Structural transformation and thermodynamics of alloying CunAg55-n(n = 0–55) clusters on cooling from atomic simulations
|
Li, Feng
|
|
|
215 |
C |
p.
|
artikel
|
| 33 |
Study on the nanoindentation of polytetrafluoroethylene filled with knitted graphene by MD simulations
|
Wang, Guoqing
|
|
|
215 |
C |
p.
|
artikel
|
| 34 |
The effect of Ni content on phase transformation behavior of NiTi alloys: An atomistic modeling study
|
Li, Guotai
|
|
|
215 |
C |
p.
|
artikel
|
| 35 |
The effect of vacancy defects on the electronic properties of β-Ga2O3
|
He, Xiaomin
|
|
|
215 |
C |
p.
|
artikel
|
| 36 |
Theoretical investigation of the stability of A 55-n B n nanoalloys (A, B = Al, Cu, Zn, Ag)
|
da Silva, Lucas Rodrigues
|
|
|
215 |
C |
p.
|
artikel
|
| 37 |
Thermoelectric power factor of MnSb2X4 (X = S, Se) spinel chalcogenides – A DFT study
|
Govindaraj, Prakash
|
|
|
215 |
C |
p.
|
artikel
|
| 38 |
To define nonradiative defects in semiconductors: An accurate DLTS simulation based on first-principle
|
Xu, Xiaodong
|
|
|
215 |
C |
p.
|
artikel
|
| 39 |
Uncertainty quantification of metallic microstructures using principal image moments
|
Senthilnathan, Arulmurugan
|
|
|
215 |
C |
p.
|
artikel
|
| 40 |
Verification of a new cellular automata model of solidification using a case study on the columnar to equiaxed transition previously simulated using front tracking
|
Dreelan, Daniel
|
|
|
215 |
C |
p.
|
artikel
|
| 41 |
Viscosity of liquid gallium: Neural network potential molecular dynamics and experimental study
|
Balyakin, I.A.
|
|
|
215 |
C |
p.
|
artikel
|
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