Computational Materials Science

Computational Materials Science

ISSNs: 0927-0256

Elsevier BV, Netherlands

Scopus rating (2023): CiteScore 6.5 SJR 0.741 SNIP 0.961

Journal

Journal Metrics
21 - 40 out of 57Page size: 20

Research Output

  1. 2017

  2. Size effects of shear deformation response for nano-single crystals examined by the phase-field-crystal model

    Zhou, W., Wang, J., Wang, Z., Zhang, Q., Guo, C., Li, J. & Guo, Y., 1 Feb 2017, In: Computational Materials Science. 127, p. 121-127

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 6
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  3. 2016
  4. Published

    First-principles prediction of structural, mechanical and magnetic properties in Ni2MnAl

    Yang, S., Kong, Y., Du, Y., Shen, L. & Shen, Y., Oct 2016, In: Computational Materials Science. 123, p. 52-58

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 13
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  5. A density functional theory study for the adsorption of various gases on a caesium-exchanged trapdoor chabazite

    Shang, J., Li, G., Webley, P. A. & Liu, J. Z., 1 Sept 2016, In: Computational Materials Science. 122, p. 307-313

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 27
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  6. Existence and forming mechanism of metastable phase in crystallization

    Huang, Y., Wang, J., Wang, Z., Li, J., Guo, C., Guo, Y. & Yang, Y., Sept 2016, In: Computational Materials Science. 122, p. 167-176

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 3
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  7. Published

    Structures and electronic properties of vacancies at the interface of hybrid graphene/hexagonal boron nitride sheet

    Ding, N., Lei, Y., Chen, X., Deng, Z., Ng, S. & Wu, C. L., 1 May 2016, In: Computational Materials Science. 117, p. 172-179

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 23
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  8. Alloying Mg with Gd and Y: Increasing both plasticity and strength

    Tang, L., Liu, W., Ding, Z., Zhang, D., Zhao, Y., Lavernia, E. J. & Zhu, Y., 1 Apr 2016, In: Computational Materials Science. 115, p. 85-91

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 47
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  9. Published

    Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach

    Lu, Y., Yang, Q., He, X. & Liew, K., 1 Mar 2016, In: Computational Materials Science. 114, p. 189-198

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 21
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  10. 2015

  11. Load sharing inside multi-layered graphene nanosheets under bending and tension

    Viet, N. V., Wang, Q. & Kuo, W. S., 1 Dec 2015, In: Computational Materials Science. 110, p. 62-70

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 9
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  12. Effects of a disconnection dipole on the shear-coupled grain boundary migration

    Guo, Y., Wang, J., Wang, Z., Li, J., Yang, Y. & Zhou, Y., Nov 2015, In: Computational Materials Science. 109, p. 253-257

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 5
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  13. Published

    First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes

    Huang, Y., Zhang, Z., Ma, F., Chu, P. K., Dong, C. & Wei, X., 15 Apr 2015, In: Computational Materials Science. 101, p. 1-7

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 21
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  14. Structural, anisotropic elastic and electronic properties of Sr-Zn binary system intermetallic compounds: A first-principles study

    Hu, W., Liu, Y., Li, D., Jin, H., Xu, Y., Xu, C. & Zeng, X., Mar 2015, In: Computational Materials Science. 99, p. 381-389

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 32
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  15. Mechanical, electronic and thermodynamic properties of C14-type AMg2 (A = Ca, Sr and Ba) compounds from first principles calculations

    Liu, Y., Hu, W., Li, D., Li, K., Jin, H., Xu, Y., Xu, C., & 1 othersZeng, X., 1 Feb 2015, In: Computational Materials Science. 97, p. 75-85

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 48
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  16. 2014

  17. Molecular separation with carbon nanotubes

    Arash, B. & Wang, Q., Jul 2014, In: Computational Materials Science. 90, p. 50-55

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 7
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  18. Phase field crystal modeling of grain rotation with small initial misorientations in nanocrystalline materials

    Guo, Y., Wang, J., Wang, Z., Tang, S. & Zhou, Y., 1 Jun 2014, In: Computational Materials Science. 88, p. 163-169

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 9
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  19. Published

    Design of 3D carbon nanotube-based nanostructures and prediction of their extra-strong mechanical properties under tension and compression

    Guo, S., Yang, Q., He, X. & Liew, K., 1 Apr 2014, In: Computational Materials Science. 85, p. 324-331

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 10
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  20. Published

    Tensile deformation properties of single crystal copper with nanotwins

    Chen, K., Shi, S. Q. & Lu, J., 15 Feb 2014, In: Computational Materials Science. 83, p. 269-276

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 9
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  21. A review on applications of carbon nanotubes and graphenes as nano-resonator sensors

    Wang, Q. & Arash, B., 2014, In: Computational Materials Science. 82, p. 350-360

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 186
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  22. First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf

    Hu, W., Liu, Y., Li, D., Zeng, X. & Xu, C., 2014, In: Computational Materials Science. 83, p. 27-34

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 221
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  23. Modeling of the atomic structure and electronic properties of amorphous GaN1-xAsx

    Bakir Kandemir, E., Gönül, B., Barkema, G. T., Yu, K. M., Walukiewicz, W. & Wang, L. W., 2014, In: Computational Materials Science. 82, p. 100-106

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 14
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  24. Molecular simulations on separation of atoms with carbon nanotubes in torsion

    Khosrozadeh, A., Wang, Q. & Varadan, V. K., 2014, In: Computational Materials Science. 81, p. 280-283

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 8
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