| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio calculations of corundum structured α-(Al0.75Cr0.22Me0.03)2O3 compounds (Me = Si, Fe, Mn, Ti, V and Y)
|
Liu, Hao
|
|
|
212 |
C |
p.
|
artikel
|
| 2 |
Ab initio study of local structures during cooling of liquid Fe-C and Fe-Cr-C alloys
|
Xu, Chuang
|
|
|
212 |
C |
p.
|
artikel
|
| 3 |
A mesoscopic model for the simulation of dynamic mechanical properties of filled elastomers: Filled binary polymer blends
|
Viktorova, Mariia
|
|
|
212 |
C |
p.
|
artikel
|
| 4 |
A molecular dynamics simulation study on the role of graphene in enhancing the arc erosion resistance of Cu metal matrix
|
Xu, Ruoyu
|
|
|
212 |
C |
p.
|
artikel
|
| 5 |
A multi-phase field model for mesoscopic interface dynamics with large bulk driving forces
|
Grose, Christopher J.
|
|
|
212 |
C |
p.
|
artikel
|
| 6 |
An algorithm for physics informed scan path optimization in additive manufacturing
|
Stump, B.
|
|
|
212 |
C |
p.
|
artikel
|
| 7 |
Application of scalar auxiliary variable scheme to phase-field equations
|
Wang, Rui
|
|
|
212 |
C |
p.
|
artikel
|
| 8 |
A stochastic geometrical 3D model for time evolution simulation of microstructures in SOC-electrodes
|
Théodon, L.
|
|
|
212 |
C |
p.
|
artikel
|
| 9 |
Atomistic modeling of Σ3 twin grain boundary in alloy 800H
|
Dai, Cong
|
|
|
212 |
C |
p.
|
artikel
|
| 10 |
Band structure calculation and crystal field induced electronic properties illustration for spinel CuGa2O4*
|
Wang, H.B
|
|
|
212 |
C |
p.
|
artikel
|
| 11 |
Corrosion protection of Fe (100) in supercritical CO2 achieved by applied electric field: A ReaxFF molecular dynamics study
|
Zhou, Junjie
|
|
|
212 |
C |
p.
|
artikel
|
| 12 |
Cutting characteristics of monocrystalline silicon in elliptical vibration nano-cutting using molecular dynamics method
|
Su, Zhipeng
|
|
|
212 |
C |
p.
|
artikel
|
| 13 |
Decoding crystal growth kinetics and structural evolution in supercooled ZnSe by molecular dynamics simulation
|
Separdar, Leila
|
|
|
212 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
|
212 |
C |
p.
|
artikel
|
| 15 |
Elucidating atomistic mechanisms underlying water diffusion in amorphous polymers: An autonomous basin climbing-based simulation method
|
Bahtiri, Betim
|
|
|
212 |
C |
p.
|
artikel
|
| 16 |
First-principles calculations of the cleavage energy in random solid solutions: A case study for TiZrNbHf high-entropy alloy
|
Li, Xiaojie
|
|
|
212 |
C |
p.
|
artikel
|
| 17 |
First-principles study of surface segregation in bimetallic Cu3M(111) (M = Au, Ag, and Zn) alloys in presence of adsorbed CO
|
Yu, Yanlin
|
|
|
212 |
C |
p.
|
artikel
|
| 18 |
Formation of stacking fault pyramid in zirconium
|
Liu, Yan
|
|
|
212 |
C |
p.
|
artikel
|
| 19 |
Fundamental effect of lead on mechanical properties of iron from a constructed iron-lead potential
|
Shi, ZhiYong
|
|
|
212 |
C |
p.
|
artikel
|
| 20 |
Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis
|
Shimanek, John D.
|
|
|
212 |
C |
p.
|
artikel
|
| 21 |
Introduction and investigation of PbI2/NdI2/CuI and PbI2/G/NdI2/B/CuI multilayer for optoelectronic applications
|
Ahmadvand, Nader
|
|
|
212 |
C |
p.
|
artikel
|
| 22 |
Molecular-dynamics study on the thermodynamic properties of nano-SiO2 particle-doped silicone rubber composites
|
Guo, Guangzhi
|
|
|
212 |
C |
p.
|
artikel
|
| 23 |
New method of atomistic modeling of α − α ′ phase transition in Fe–Cr alloy with effective accounting for vibrational entropy
|
Meshkov, E.A.
|
|
|
212 |
C |
p.
|
artikel
|
| 24 |
On the affected strength of Al grain boundaries by Zn segregation: A first-principles interpretation
|
Yu, Xuehao
|
|
|
212 |
C |
p.
|
artikel
|
| 25 |
Spin reorientation in CoV2O4 thin film: A first principles study
|
Sharma, Mukesh
|
|
|
212 |
C |
p.
|
artikel
|
| 26 |
Structural and elastic behaviour of aragonite at high-pressure: A contribution from first-principle simulations
|
Ulian, Gianfranco
|
|
|
212 |
C |
p.
|
artikel
|
| 27 |
Studying crack propagation along symmetric tilt grain boundary with H segregation in Ni by MD simulation
|
Chen, Jiawei
|
|
|
212 |
C |
p.
|
artikel
|
| 28 |
Theoretical insights into electronic structure and NRR catalytic mechanism based on halide perovskites CsPbBr3-xIx
|
Fang, Yuzhen
|
|
|
212 |
C |
p.
|
artikel
|
| 29 |
Uncertainty reduction and quantification in computational thermodynamics
|
Otis, Richard
|
|
|
212 |
C |
p.
|
artikel
|
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