| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A method to apply Piola-Kirchhoff stress in molecular statics simulation
|
Ghasemi, Arman
|
|
|
195 |
C |
p.
|
artikel
|
| 2 |
A multiscale study of the production and recombination of closely correlated defects from irradiation-induced higher order recoils in beryllium
|
Stihl, Ch.
|
|
|
195 |
C |
p.
|
artikel
|
| 3 |
Application of deep transfer learning to predicting crystal structures of inorganic substances
|
Feng, Shuo
|
|
|
195 |
C |
p.
|
artikel
|
| 4 |
A short review on first-principles study of gapped topological materials
|
Liu, Junwei
|
|
|
195 |
C |
p.
|
artikel
|
| 5 |
A sublattice phase-field model for direct CALPHAD database coupling
|
Schwen, D.
|
|
|
195 |
C |
p.
|
artikel
|
| 6 |
Atomistic aspects of the temperature effect on fracture toughness of a silicon single crystal
|
Lee, Gi Hun
|
|
|
195 |
C |
p.
|
artikel
|
| 7 |
Building Machine Learning systems for multi-atoms structures: CH3NH3PbI3 perovskite nanoparticles
|
Kurban, Hasan
|
|
|
195 |
C |
p.
|
artikel
|
| 8 |
Cellular automaton model for predicting the three-dimensional eutectic structure of binary alloys
|
Ogawa, Jota
|
|
|
195 |
C |
p.
|
artikel
|
| 9 |
Chemical free energy profiles for martensitic transformation of CuAlNi at finite temperatures
|
Li, Zewei
|
|
|
195 |
C |
p.
|
artikel
|
| 10 |
Composite structural modeling and mechanical behavior of whisker reinforced Cu matrix composites
|
Nan, Liu
|
|
|
195 |
C |
p.
|
artikel
|
| 11 |
Computational study of Fe3O4 adsorption behaviour on the secondary side of the heat exchange tube in the steam generator
|
Ren, Lu
|
|
|
195 |
C |
p.
|
artikel
|
| 12 |
Determination of glass forming ability of bulk metallic glasses based on machine learning
|
Peng, Li
|
|
|
195 |
C |
p.
|
artikel
|
| 13 |
Determination on pore size distribution by a probabilistic porous network subjected to salt precipitation and dissolution
|
Xiong, Qing Xiang
|
|
|
195 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
|
195 |
C |
p.
|
artikel
|
| 15 |
Effect of edge contact on electronic transport in lateral Borophene/WTe2/Borophene heterojunctions
|
Li, Wei
|
|
|
195 |
C |
p.
|
artikel
|
| 16 |
Effects of high entropy and twin boundary on the nanoindentation of CoCrNiFeMn high-entropy alloy: A molecular dynamics study
|
Shuang, Siyao
|
|
|
195 |
C |
p.
|
artikel
|
| 17 |
Energy absorption mechanisms of nanoscopic multilayer structures under ballistic impact loading
|
Dewapriya, M.A.N.
|
|
|
195 |
C |
p.
|
artikel
|
| 18 |
Exploring the different roles of graphene and its derivatives as nano-additives at amorphous carbon surface through reactive molecular dynamics approach
|
Li, Xiaowei
|
|
|
195 |
C |
p.
|
artikel
|
| 19 |
Graph-based deep learning frameworks for molecules and solid-state materials
|
Gong, Weiyi
|
|
|
195 |
C |
p.
|
artikel
|
| 20 |
Graph theory based approach to characterize self interstitial defect morphology
|
Bhardwaj, Utkarsh
|
|
|
195 |
C |
p.
|
artikel
|
| 21 |
Improving the mechanical properties of HfC-based ceramics by exploring composition space of Hf1- x Ta x C and HfC1- x N x
|
Peng, Junhui
|
|
|
195 |
C |
p.
|
artikel
|
| 22 |
Modeling and simulation of dynamic recrystallization in super austenitic stainless steel employing combined cellular automaton, artificial neural network and finite element method
|
Arun Babu, K.
|
|
|
195 |
C |
p.
|
artikel
|
| 23 |
Molecular dynamic simulations evaluating the effect of the stacking fault energy on defect formations in face-centered cubic metals subjected to high-energy particle irradiation
|
Terayama, Satoshi
|
|
|
195 |
C |
p.
|
artikel
|
| 24 |
Molecular dynamics simulations of interaction and very first step oxidation in the surface of ferritic Fe-Cr alloy
|
Zhang, Yuan-Shuo
|
|
|
195 |
C |
p.
|
artikel
|
| 25 |
Optical and electronic properties of TiO2/GOQDs composites: A combined experimental and first-principles calculations study
|
Jauja-Ccana, V.R.
|
|
|
195 |
C |
p.
|
artikel
|
| 26 |
Piezoelectricity in monolayer B x C y N z structures: A first principles study
|
Alyörük, M. Menderes
|
|
|
195 |
C |
p.
|
artikel
|
| 27 |
Preface to the special issue on machine learning and data-driven design of materials issue in computational materials science
|
Sparks, Taylor D.
|
|
|
195 |
C |
p.
|
artikel
|
| 28 |
ReaxFF reactive molecular dynamics study on oxidation behavior of 3C-SiC in H2O and O2
|
Chen, Zhuangzhuang
|
|
|
195 |
C |
p.
|
artikel
|
| 29 |
Retraction notice to “Modeling fracture toughness of functionally graded steels in crack arrester configuration” [Comput. Mater Sci. 50(4) (2011) 1578–1586]
|
Nazari, Ali
|
|
|
195 |
C |
p.
|
artikel
|
| 30 |
Reviewing computational studies of defect formation and behaviors in carbon fiber structural units
|
Isbill, Sara B.
|
|
|
195 |
C |
p.
|
artikel
|
| 31 |
Role of pore chemistry and topology in the heavy metal sorption by zeolites: From molecular simulation to machine learning
|
Wanyonyi, Fred Sifuna
|
|
|
195 |
C |
p.
|
artikel
|
| 32 |
Spatiotemporal variations of residual stresses during multi-track and multi-layer deposition for laser powder bed fusion of Ti-6Al-4V
|
Machirori, T.
|
|
|
195 |
C |
p.
|
artikel
|
| 33 |
Transition metal solutes in Ni-based ternary model superalloys: Partitioning and effects on elastic properties from first-principles calculations
|
Lin, Yuan-Cheng
|
|
|
195 |
C |
p.
|
artikel
|
| 34 |
Tuning the electronic properties and band alignment of GeSe/phosphorene lateral heterostructure
|
Ye, Jingjing
|
|
|
195 |
C |
p.
|
artikel
|
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