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Recent Publications
Quantifying the degree of disorder and associated phenomena in materials through zentropy: Illustrated with Invar Fe3Pt
Shang, S. L., Wang, Y. & Liu, Z. K., Mar 1 2023, In: Scripta Materialia. 225, 115164.Research output: Contribution to journal › Article › peer-review
Thermodynamic and electron transport properties of Ca3Ru2 O7 from first-principles phonon calculations and Boltzmann transport theory
Wang, Y., Xiong, Y., Yang, T., Yuan, Y., Shang, S., Liu, Z. K., Gopalan, V., Dabo, I. & Chen, L. Q., Jan 15 2023, In: Physical Review B. 107, 3, 035118.Research output: Contribution to journal › Article › peer-review
First-principles calculations of domain wall energies of prototypical ferroelectric perovskites
Zhang, X., Wang, B., Ji, Y., Xue, F., Wang, Y., Chen, L. Q. & Nan, C. W., Jan 1 2023, In: Acta Materialia. 242, 118351.Research output: Contribution to journal › Article › peer-review
Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3
Du, J. L., Malyi, O. I., Shang, S. L., Wang, Y., Zhao, X. G., Liu, F., Zunger, A. & Liu, Z. K., Oct 2022, In: Materials Today Physics. 27, 100805.Research output: Contribution to journal › Article › peer-review
Facile preparation of dopamine mediated graphene oxide composite membranes with enhanced stability for nanofiltration: Structure, performance and stability
Kong, F. X., Liu, Q., You, L., Lu, P., Liu, T., Sun, G. D., Wang, Y. & Chen, J. F., Jul 15 2022, In: Desalination. 534, 115778.Research output: Contribution to journal › Article › peer-review
Unexpected low thermal expansion coefficients of pentadiamond
Liao, M., Wang, Y., Wang, F., Zhu, J. & Liu, Z. K., Sep 7 2022, In: Physical Chemistry Chemical Physics. 24, 38, p. 23561-23569 9 p.Research output: Contribution to journal › Article › peer-review
Zentropy Theory for Positive and Negative Thermal Expansion
Liu, Z. K., Wang, Y. & Shang, S. L., Dec 2022, In: Journal of Phase Equilibria and Diffusion. 43, 6, p. 598-605 8 p.Research output: Contribution to journal › Review article › peer-review
Predicting phase transformation kinetics during metal additive manufacturing using non-isothermal Johnson-Mehl-Avrami models: Application to Inconel 718 and Ti-6Al-4V
McNamara, K., Ji, Y., Lia, F., Promoppatum, P., Yao, S. C., Zhou, H., Wang, Y., Chen, L. Q. & Martukanitz, R. P., Jan 2022, In: Additive Manufacturing. 49, 102478.Research output: Contribution to journal › Article › peer-review
A thermochemical database from high-throughput first-principles calculations and its application to analyzing phase evolution in AM-fabricated IN718
Wang, Y., Lia, F., Wang, K., McNamara, K., Ji, Y., Chong, X., Shang, S. L., Liu, Z. K., Martukanitz, R. P. & Chen, L. Q., Nov 2022, In: Acta Materialia. 240, 118331.Research output: Contribution to journal › Article › peer-review
Correlation analysis of materials properties by machine learning: Illustrated with stacking fault energy from first-principles calculations in dilute fcc-based alloys
Chong, X., Shang, S. L., Krajewski, A. M., Shimanek, J. D., Du, W., Wang, Y., Feng, J., Shin, D., Beese, A. M. & Liu, Z. K., Jul 2021, In: Journal of Physics Condensed Matter. 33, 29, 295702.Research output: Contribution to journal › Article › peer-review
Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations
Chong, X. Y., Palma, J. P. S., Wang, Y., Shang, S. L., Drymiotis, F., Ravi, V. A., Star, K. E., Fleurial, J. P. & Liu, Z. K., Sep 15 2021, In: Acta Materialia. 217, 117169.Research output: Contribution to journal › Article › peer-review
Underpinned exploration for magnetic structure, lattice dynamics, electronic properties, and disproportionation of yttrium nickelate
Du, J., Shang, S. L., Wang, Y., Zhang, A., Xiong, S., Liu, F. & Liu, Z. K., Jan 1 2021, In: AIP Advances. 11, 1, 015028.Research output: Contribution to journal › Article › peer-review
Ferroelectricity in novel one-dimensional P42-InSeI nanowires
Jiang, S., Liu, S., Wang, Y., Chen, W., Yin, H., Wang, B., Liu, C., Feng, Z. & Zheng, G. P., Dec 2021, In: Results in Physics. 31, 104960.Research output: Contribution to journal › Article › peer-review
An electroactive single-atom copper anchored MXene nanohybrid filter for ultrafast water decontamination
Jin, L., You, S., Yao, Y., Chen, H., Wang, Y. & Liu, Y., Dec 2021, In: Journal of Materials Chemistry A. 9, 46, p. 25964-25973 10 p.Research output: Contribution to journal › Article › peer-review
AlCoCrFeNi系高熵合金的强化方法研究
Research output: Contribution to journal › Article › peer-review