Computational Materials Science

Computational Materials Science

ISSNs: 0927-0256

Elsevier BV, Netherlands

Scopus rating (2018): CiteScore 2.7 SJR 0.812 SNIP 1.082

Journal

Journal Metrics
1 - 20 out of 44Page size: 20

Research Output

  1. 2019
  2. Published

    Investigation on fracture of pre-cracked single-layer graphene sheets

    Liu, X., Bie, Z., Wang, J., Sun, L., Tian, M., Oterkus, E. & He, X., Mar 2019, In : Computational Materials Science. 159, p. 365-375

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

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  3. Migration mechanisms of interphase boundaries with irrational orientation relationships in massive transformations: A phase-field crystal study

    Huang, Y., Wang, J., Wang, Z., Li, J. & Guo, C., Mar 2019, In : Computational Materials Science. 159, p. 420-427

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 1
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  4. 2018

  5. Two-way design of alloys for advanced ultra supercritical plants based on machine learning

    Hu, X., Wang, J., Wang, Y., Li, J., Wang, Z., Dang, Y. & Gu, Y., Dec 2018, In : Computational Materials Science. 155, p. 331-339

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 3
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  6. Published

    Unusual vortex-like atomic motion observed for viscoelasticity in metallic glass

    Liu, X. D., Wang, T. Y., Ye, Y. F., Qiao, J. C. & Yang, Y., Dec 2018, In : Computational Materials Science. 155, p. 104-111

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

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  7. Published

    Trivacancy and Stone-Wales defected silicene for adsorption of small gas molecules

    Xiao, Y., Lu, X., Ng, S. P. & Wu, C. L., Nov 2018, In : Computational Materials Science. 154, p. 276-283

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 4
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  8. Published

    Thermal stability of NO on Ga-doped graphene and effect of external electric field

    Liang, X., Ng, S., Ding, N. & Wu, L., Aug 2018, In : Computational Materials Science. 151, p. 214-221

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 5
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  9. 2017
  10. Published

    Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks

    Li, N., Ding, N., Qu, S., Liu, L., Guo, W. & Wu, C. L., Dec 2017, In : Computational Materials Science. 140, p. 356-366

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 9
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  11. Published

    Structural properties and energy analysis of ZrxCu92−xAl8 ternary metallic glasses

    Zhao, J., Liu, C. T., Inoue, A., Liaw, P., Chen, G. & Fan, C., Nov 2017, In : Computational Materials Science. 139, p. 260-265

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 2
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  12. Published

    Enhanced tribological properties of polymer composites by incorporation of nano-SiO2 particles: A molecular dynamics simulation study

    He, E., Wang, S., Li, Y. & Wang, Q., 15 Jun 2017, In : Computational Materials Science. 134, p. 93-99

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 11
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  13. Published

    Structural stability and deformation resistant analysis of borophene and graphene-filled calcium silicate for cement-based materials

    Yuan, J., Zhang, L. W. & Liew, K. M., 1 Jun 2017, In : Computational Materials Science. 133, p. 130-136

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 3
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  14. Published

    The electronic structure and optical absorption of rutile TiO2 with La and N dopants from first-principles calculation

    Lin, Y., Su, Y., Zhu, Y., Jiang, Z., Shi, H., Ding, X., Zhang, X. & 2 othersZhu, H. & Zhang, R., 15 Apr 2017, In : Computational Materials Science. 131, p. 178-186

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 4
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  15. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 5
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  16. 2016
  17. Published

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

    Yang, S., Kong, Y., Du, Y., Shen, L. & Shen, Y., 1 Oct 2016, In : Computational Materials Science. 123, p. 52-58

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 3
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  18. 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 Sep 2016, In : Computational Materials Science. 122, p. 307-313

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 9
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  19. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 12
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  20. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 7
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  21. 2015

  22. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 6
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  23. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 15
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  24. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 12
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  25. 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, 22, 62) › 21_Publication in refereed journal › Not applicable › peer-review

    Scopus citations: 28
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