Computational Materials Science
Computational Materials Science
ISSNs: 0927-0256
Elsevier BV, Netherlands
Scopus rating (2021): CiteScore 6.1 SJR 0.777 SNIP 1.078
Journal
Research Output
- 2022
- Published
Tuning the strength-ductility synergy of nanograined Cu through nanotwin volume fraction
Guo, X., Chai, G. Y., Weng, G. J., Zhu, L. L. & Lu, J., 15 Feb 2022, In: Computational Materials Science. 203, 111073.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
- 2021
- Published
Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning
Wan, Z., Wang, Q., Liu, D. & Liang, J., Oct 2021, In: Computational Materials Science. 198, 110699.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 1 - Published
A systematic study of interatomic potentials for mechanical behaviours of Ti-Al alloys
Pei, Q., Jhon, M. H., Quek, S. S. & Wu, Z., 15 Feb 2021, In: Computational Materials Science. 188, 110239.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 11 - 2020
First-principles investigation of interfacial stability, mechanical behavior and failure mechanism of β-SiC(1 1 1)/Al(1 1 1) interfaces
Qiu, C., Su, Y., Chen, B., Yang, J., Li, Z., Ouyang, Q., Guo, Q. & 2 others, , 1 Apr 2020, In: Computational Materials Science. 175, 109608.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 10- 2019
- 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. 365-375Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 9 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. 420-427Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 2- 2018
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. 331-339Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 19- 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. 104-111Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 5 - 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. 276-283Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 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. 214-221Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 15 - 2017
- 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. 356-366Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 27 - Published
Structural properties and energy analysis of ZrxCu92−xAl8 ternary metallic glasses
Zhao, J., Liu, C. T., Inoue, A., Liaw, P. K., Chen, G. & Fan, C., Nov 2017, In: Computational Materials Science. 139, p. 260-265Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 4 - 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. 93-99Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 29 - 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. 130-136Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 5 - 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 others, , 15 Apr 2017, In: Computational Materials Science. 131, p. 178-186Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 9 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. 121-127Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 5- 2016
- 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. 52-58Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 9 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. 307-313Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 16Existence and forming mechanism of metastable phase in crystallization
Huang, Y., Wang, J., Wang, Z., Li, J., Guo, C., Guo, Y. & Yang, Y., Sep 2016, In: Computational Materials Science. 122, p. 167-176Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 3- 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. 172-179Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Scopus citations: 18