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Fizika Tverdogo Tela, 2018, Volume 60, Issue 5, Page 964
DOI: https://doi.org/10.21883/FTT.2018.05.45875.292
(Mi ftt9206)
 

This article is cited in 11 scientific papers (total in 11 papers)

Mechanical properties, strength physics and plasticity

First-principles investigation of mechanical and thermodynamic properties of nickel silicides at finite temperature

Zhiqin Wen, Yuhong Zhao, Hua Hou, Liwen Chen

School of Materials Science and Engineering, North University of China, Taiyuan, China
Full-text PDF (33 kB) Citations (11)
Abstract: First-principles calculations are performed to investigate lattice parameters, elastic constants and 3D directional Young's modulus E of nickel silicides (i. e. β-Ni3Si, δ-Ni2Si, θ-Ni2Si, ε-NiSi, and α-NiSi2), and thermodynamic properties, such as the Debye temperature, heat capacity, volumetric thermal expansion coefficient, at finite temperature are also explored in combination with the quasi-harmonic Debye model. The calculated results are in a good agreement with available experimental and theoretical values. The five compounds demonstrate elastic anisotropy. The dependence on the direction of stiffness is the greatest for δ-Ni2Si and θ-Ni2Si, when the stress is applied, while that for β-Ni3Si is minimal. The bulk modulus B reduces with increasing temperature, implying that the resistance to volume deformation will weaken with temperature, and the capacity gradually descend for the compound sequence of β-Ni3Si > δ-Ni2Si > θ-Ni2Si > ε-NiSi > α-NiSi2. The temperature dependence of the Debye temperature ΘD is related to the change of lattice parameters, and ΘD gradually decreases for the compound sequence of varepsilon-NiSi > β-Ni3Si > δ-Ni2Si > θ-Ni2Si > α-NiSi2. The volumetric thermal expansion coefficient αV, isochoric heat capacity Cv and isobaric heat capacity Cp of nickel silicides are proportional to T3 at low temperature, subsequently, αV and Cp show modest linear change at high temperature, whereas Cv obeys the Dulong-Petit limit. In addition, β-Ni3Si has the largest capability to store or release heat at high temperature. From the perspective of solid state physics, the thermodynamic properties at finite temperature can be used to guide further experimental works and design of novel nickel-silicon alloys.
Received: 19.10.2017
English version:
Physics of the Solid State, 2018, Volume 60, Issue 5, Pages 967–974
DOI: https://doi.org/10.1134/S1063783418050360
Bibliographic databases:
Document Type: Article
Language: English
Citation: Zhiqin Wen, Yuhong Zhao, Hua Hou, Liwen Chen, “First-principles investigation of mechanical and thermodynamic properties of nickel silicides at finite temperature”, Fizika Tverdogo Tela, 60:5 (2018), 964; Phys. Solid State, 60:5 (2018), 967–974
Citation in format AMSBIB
\Bibitem{WenZhaHou18}
\by Zhiqin~Wen, Yuhong~Zhao, Hua~Hou, Liwen~Chen
\paper First-principles investigation of mechanical and thermodynamic properties of nickel silicides at finite temperature
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 5
\pages 964
\mathnet{http://mi.mathnet.ru/ftt9206}
\crossref{https://doi.org/10.21883/FTT.2018.05.45875.292}
\elib{https://elibrary.ru/item.asp?id=32739887}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 5
\pages 967--974
\crossref{https://doi.org/10.1134/S1063783418050360}
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  • https://www.mathnet.ru/eng/ftt/v60/i5/p964
  • This publication is cited in the following 11 articles:
    1. Peng Wang, “Study of magnetism and microwave absorption performance of Fe5Ni3Si2”, Journal of Alloys and Compounds, 2025, 178481  crossref
    2. Jakob Huber, Jonas Vogler, Jan Torgersen, Ewald Werner, “Predicting mechanical failure of polycrystalline dual-phase nickel-based alloys by numerical homogenization using a phase field damage model”, Continuum Mech. Thermodyn., 2024  crossref
    3. Jakob Huber, Jan Torgersen, Ewald Werner, Advanced Structured Materials, 200, State of the Art and Future Trends in Materials Modelling 2, 2024, 279  crossref
    4. Anurag Kamal, Anoop Kumar Shukla, Vijay M. Shinde, “High-strength C/SiC joints prepared using a novel Ni-Si-CNTs-based filler”, Journal of the European Ceramic Society, 43:16 (2023), 7411  crossref
    5. Foysal Kabir Tareq, Even Wilberg Hovig, Ragnhild E. Aune, Geir Grasmo, The Minerals, Metals & Materials Series, TMS 2023 152nd Annual Meeting & Exhibition Supplemental Proceedings, 2023, 216  crossref
    6. Yuan-Wei Chang, Kam-Heng Lam, Chien Chang, Hou-Ren Chen, Kuan-Wei Su, Yi-Chia Chou, “Control of Large‐Scale Single‐Phase Ni Silicide Formation from Reactive Multilayers”, Adv Eng Mater, 24:12 (2022)  crossref
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    8. Jia Yang, Xunye Zhang, Guanglu Ma, Panpan Lin, Yanqiang Xu, Zhanguo Liu, Tiesong Lin, Peng He, Kuijing Song, “A study of the SiCf/SiC composite/Ni-based superalloy dissimilar joint brazed with a composite filler”, Journal of Materials Research and Technology, 11 (2021), 2114  crossref
    9. Zikang Wang, Yan Liu, Hui Zhang, Jindi Jiang, Tiesong Lin, Xuejian Liu, Zhengren Huang, “Joining of SiC ceramics using the Ni-Mo filler alloy for heat exchanger applications”, Journal of the European Ceramic Society, 41:15 (2021), 7533  crossref
    10. Haojiang Shi, Yidi Chai, Ning Li, Jiazhen Yan, Xin Zhu, Kangwei Chen, Dong Bai, Zihao Liu, Miaomiao Wu, Ruiqian Zhang, Ming Li, Mingliang Luo, Qi Sun, Chenglai Xin, Wenmin Hu, Xin Dong, “Interfacial reaction mechanism of SiC joints joined by pure nickel foil”, Journal of the European Ceramic Society, 40:15 (2020), 5162  crossref
    11. Huamin He, Chuanyang Lu, Yanming He, Wenjian Zheng, Jianguo Yang, Limei Wang, Yuan Sun, Zengliang Gao, “Characterization of SiC Ceramic Joints Brazed Using Au–Ni–Pd–Ti High-Temperature Filler Alloy”, Materials, 12:6 (2019), 931  crossref
    Citing articles in Google Scholar: Russian citations, English citations
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