DOI: 10.1111/jace.14195. Electronic Structure and Mechanical Properties of NiB: A Promising Interphase Material for Future UHTC<sub>f</sub>/UHTC Composites

Electronic Structure and Mechanical Properties of NiB: A Promising Interphase Material for Future UHTCf/UHTC Composites

10.1111/jace.14195

Crossref journal-article

Wiley

Journal of the American Ceramic Society (311)

Abstract

Weak interphases play a pivotal role by acting as mechanical fuse to deflect matrix cracks in future ultrahigh‐temperature ceramic fiber reinforced ceramic matrix (UHTCf/UHTC) composites. However, the interphase materials are not available yet. In this work, the electronic structure, chemical bonding, and mechanical properties of NiB, which is a promising interphase material for UHTCf/UHTC composites, were investigated. NiB has relatively low shear modulus of 116 GPa, moderate Young's modulus of 307 GPa, but high bulk modulus of 287 GPa. The Pugh's ratio G/B is only 0.404 and the micro hardness is predicted to be 8.2 GPa, indicating that NiB belongs to “soft” and “ductile” UHTCs. The possible slip systems are [100](001), [010](001), and [001](010) due to the presence of metallic Ni–Ni and weak Ni–B bonding. Details on the electronic structure and directional dependence of shear and Young's moduli are disclosed to highlight the mechanisms that underpin the properties.

Bibliography

Zhou, Y., Xiang, H., Feng, Z., & Li, Z. (2016). Electronic Structure and Mechanical Properties of NiB: A Promising Interphase Material for Future UHTCf/UHTC Composites. Journal of the American Ceramic Society, 99(6), 2110â2119. Portico.

Authors 4

Yanchun Zhou (first)
Huimin Xiang (additional)
Zhihai Feng (additional)
Zhongping Li (additional)

References 52 Referenced 35

10.1111/j.1551-2916.2007.01583.x
10.1023/B:JMSC.0000041686.21788.77
10.1023/B:JMSC.0000041688.68135.8b
10.1002/9781118700853.ch7 / Ultrahigh Temperature Ceramics: Materials for Extreme Environment Applications by Paul A. (2014)
{'issue': '1', 'key': 'e_1_2_6_6_1', 'first-page': '22', 'article-title': 'UHTC Composites for Hhypersonic Applications', 'volume': '91', 'author': 'Paul A.', 'year': '2012', 'journal-title': 'Am. Ceram. Soc. Bull.'} / Am. Ceram. Soc. Bull. / UHTC Composites for Hhypersonic Applications by Paul A. (2012)
10.1016/j.ceramint.2011.02.024
10.1111/j.1551-2916.2008.02632.x
10.1023/B:JMSC.0000041696.64055.8c
10.1111/j.1551-2916.2007.01876.x
10.1111/jace.13274
E. J.PopeandK. M.Kratsch “Preceramic Polymers to Hafnium Carbide and Hafnium Nitride Ceramic Fibers and Matrices”; US patent 2002/0165332 A1 2002.
{'key': 'e_1_2_6_13_1', 'volume-title': 'High Temperature and Ultrahigh Temperature Ceramic Fibers and Applications', 'author': 'Pope E. J.', 'year': '2009'} / High Temperature and Ultrahigh Temperature Ceramic Fibers and Applications by Pope E. J. (2009)
{'key': 'e_1_2_6_14_1', 'first-page': '40', 'volume-title': 'Ceramic Matrix Composites', 'author': 'Lamon J.', 'year': '2015'} / Ceramic Matrix Composites by Lamon J. (2015)
10.1080/21663831.2015.1052109
10.1063/1.4922147
10.1016/j.ceramint.2015.01.132
10.1016/j.jallcom.2012.05.114
10.1016/j.physb.2013.03.018
10.1088/0953-8984/14/11/301
10.1103/PhysRevB.41.7892 / Phys. Rev. B / Soft Self‐Consistent Pseudopotential in a Generalized Eignevalue Formalism by Vanderbilt D. (1990)
10.1103/PhysRevB.73.235116
10.1103/PhysRevB.16.1748
10.1006/jcph.1996.5612
10.1088/0953-8984/13/2/302
10.1063/1.368733
{'key': 'e_1_2_6_27_1', 'volume-title': 'Lehrbuch der Kristallohysic', 'author': 'Voigt W.', 'year': '1928'} / Lehrbuch der Kristallohysic by Voigt W. (1928)
10.1002/zamm.19290090104
10.1088/0370-1298/65/5/307
10.1016/j.jallcom.2003.09.015
10.1007/BF00797741
10.1016/0022-4596(87)90285-4
10.1016/j.jmst.2014.09.014
10.1016/j.jeurceramsoc.2015.08.016
10.1063/1.1736249
{'key': 'e_1_2_6_36_1', 'volume-title': 'Dynamical Theory of Crystal Lattices', 'author': 'Born M.', 'year': '1954'} / Dynamical Theory of Crystal Lattices by Born M. (1954)
10.1080/14786440808520496
10.1007/s100190050114
10.1016/S1005-0302(10)60064-3
{'issue': '6', 'key': 'e_1_2_6_40_1', 'first-page': '721', 'article-title': 'Synthesis, Microstructure, and Properties of Cr2AlC', 'volume': '23', 'author': 'Lin Z. J.', 'year': '2007', 'journal-title': 'J. Mater. Sci. Technol.'} / J. Mater. Sci. Technol. / Synthesis, Microstructure, and Properties of Cr2AlC by Lin Z. J. (2007)
10.1111/j.1551-2916.2007.01803.x
10.1016/j.actamat.2007.07.010
10.1016/j.jeurceramsoc.2008.04.029
10.1111/jace.12618
10.1063/1.2005392
10.1016/j.ijrmhm.2012.02.021
10.1016/j.intermet.2011.03.026
10.1103/PhysRevLett.91.015502
10.1103/PhysRevLett.100.235504
10.1103/PhysRevLett.96.085501
10.1111/j.1151-2916.1988.tb05022.x
{'key': 'e_1_2_6_52_1', 'volume-title': 'Physical Properties of Crystals; Their Representation by Tensors and Matrices', 'author': 'Nye J. F.', 'year': '1985'} / Physical Properties of Crystals; Their Representation by Tensors and Matrices by Nye J. F. (1985)
10.1088/0022-3727/4/2/312

Dates

Type	When
Created	9 years, 5 months ago (March 8, 2016, 4:14 a.m.)
Deposited	1 year, 11 months ago (Sept. 16, 2023, 4:46 p.m.)
Indexed	4 weeks ago (Aug. 2, 2025, 12:11 a.m.)
Issued	9 years, 5 months ago (March 8, 2016)
Published	9 years, 5 months ago (March 8, 2016)
Published Online	9 years, 5 months ago (March 8, 2016)
Published Print	9 years, 2 months ago (June 1, 2016)

Funders 1

National Natural Science Foundation of China 10.13039/501100001809
Region: Asia
gov (National government)
Labels11
1. Chinese National Science Foundation
2. Natural Science Foundation of China
3. National Science Foundation of China
4. NNSF of China
5. NSF of China
6. 国家自然科学基金委员会
7. National Nature Science Foundation of China
8. Guójiā Zìrán Kēxué Jījīn Wěiyuánhuì
9. NSFC
10. NNSF
11. NNSFC
Awards1
1. U1435206

BibTeX

@article{Zhou_2016, title={Electronic Structure and Mechanical Properties of NiB: A Promising Interphase Material for Future UHTCf/UHTC Composites}, volume={99}, ISSN={1551-2916}, url={http://dx.doi.org/10.1111/jace.14195}, DOI={10.1111/jace.14195}, number={6}, journal={Journal of the American Ceramic Society}, publisher={Wiley}, author={Zhou, Yanchun and Xiang, Huimin and Feng, Zhihai and Li, Zhongping}, editor={Pharr, G.}, year={2016}, month=mar, pages={2110–2119} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        2
      ]
    ],
    "date-time": "2025-08-02T04:11:21Z",
    "timestamp": 1754107881030
  },
  "reference-count": 52,
  "publisher": "Wiley",
  "issue": "6",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2016,
            3,
            8
          ]
        ],
        "date-time": "2016-03-08T00:00:00Z",
        "timestamp": 1457395200000
      },
      "content-version": "vor",
      "delay-in-days": 0,
      "URL": "http://onlinelibrary.wiley.com/termsAndConditions#vor"
    }
  ],
  "funder": [
    {
      "DOI": "10.13039/501100001809",
      "name": "National Natural Science Foundation of China",
      "doi-asserted-by": "publisher",
      "award": [
        "U1435206"
      ],
      "id": [
        {
          "id": "10.13039/501100001809",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2016,
        6
      ]
    ]
  },
  "abstract": "<jats:p>Weak interphases play a pivotal role by acting as mechanical fuse to deflect matrix cracks in future ultrahigh\u2010temperature ceramic fiber reinforced ceramic matrix (<jats:styled-content style=\"fixed-case\">UHTC</jats:styled-content><jats:sub>f</jats:sub>/<jats:styled-content style=\"fixed-case\">UHTC</jats:styled-content>) composites. However, the interphase materials are not available yet. In this work, the electronic structure, chemical bonding, and mechanical properties of NiB, which is a promising interphase material for <jats:styled-content style=\"fixed-case\">UHTC</jats:styled-content><jats:sub>f</jats:sub>/<jats:styled-content style=\"fixed-case\">UHTC</jats:styled-content> composites, were investigated. NiB has relatively low shear modulus of 116 <jats:styled-content style=\"fixed-case\">GP</jats:styled-content>a, moderate Young's modulus of 307 <jats:styled-content style=\"fixed-case\">GP</jats:styled-content>a, but high bulk modulus of 287 <jats:styled-content style=\"fixed-case\">GP</jats:styled-content>a. The Pugh's ratio G/B is only 0.404 and the micro hardness is predicted to be 8.2 <jats:styled-content style=\"fixed-case\">GP</jats:styled-content>a, indicating that NiB belongs to \u201csoft\u201d and \u201cductile\u201d <jats:styled-content style=\"fixed-case\">UHTC</jats:styled-content>s. The possible slip systems are [100](001), [010](001), and [001](010) due to the presence of metallic Ni\u2013Ni and weak Ni\u2013B bonding. Details on the electronic structure and directional dependence of shear and Young's moduli are disclosed to highlight the mechanisms that underpin the properties.</jats:p>",
  "DOI": "10.1111/jace.14195",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2016,
        3,
        8
      ]
    ],
    "date-time": "2016-03-08T09:14:43Z",
    "timestamp": 1457428483000
  },
  "page": "2110-2119",
  "source": "Crossref",
  "is-referenced-by-count": 35,
  "title": "Electronic Structure and Mechanical Properties of NiB: A Promising Interphase Material for Future UHTC<sub>f</sub>/UHTC Composites",
  "prefix": "10.1111",
  "volume": "99",
  "author": [
    {
      "given": "Yanchun",
      "family": "Zhou",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials &amp; Processing Technology No. 1 South Dahongmen Road Beijing 100076 China"
        }
      ]
    },
    {
      "given": "Huimin",
      "family": "Xiang",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials &amp; Processing Technology No. 1 South Dahongmen Road Beijing 100076 China"
        }
      ]
    },
    {
      "given": "Zhihai",
      "family": "Feng",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials &amp; Processing Technology No. 1 South Dahongmen Road Beijing 100076 China"
        }
      ]
    },
    {
      "given": "Zhongping",
      "family": "Li",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials &amp; Processing Technology No. 1 South Dahongmen Road Beijing 100076 China"
        }
      ]
    }
  ],
  "member": "311",
  "published-online": {
    "date-parts": [
      [
        2016,
        3,
        8
      ]
    ]
  },
  "reference": [
    {
      "key": "e_1_2_6_2_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1551-2916.2007.01583.x"
    },
    {
      "key": "e_1_2_6_3_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/B:JMSC.0000041686.21788.77"
    },
    {
      "key": "e_1_2_6_4_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/B:JMSC.0000041688.68135.8b"
    },
    {
      "key": "e_1_2_6_5_1",
      "doi-asserted-by": "crossref",
      "first-page": "144",
      "DOI": "10.1002/9781118700853.ch7",
      "volume-title": "Ultrahigh Temperature Ceramics: Materials for Extreme Environment Applications",
      "author": "Paul A.",
      "year": "2014"
    },
    {
      "issue": "1",
      "key": "e_1_2_6_6_1",
      "first-page": "22",
      "article-title": "UHTC Composites for Hhypersonic Applications",
      "volume": "91",
      "author": "Paul A.",
      "year": "2012",
      "journal-title": "Am. Ceram. Soc. Bull."
    },
    {
      "key": "e_1_2_6_7_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ceramint.2011.02.024"
    },
    {
      "key": "e_1_2_6_8_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1551-2916.2008.02632.x"
    },
    {
      "key": "e_1_2_6_9_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/B:JMSC.0000041696.64055.8c"
    },
    {
      "key": "e_1_2_6_10_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1551-2916.2007.01876.x"
    },
    {
      "key": "e_1_2_6_11_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/jace.13274"
    },
    {
      "key": "e_1_2_6_12_1",
      "unstructured": "E. J.PopeandK. M.Kratsch \u201cPreceramic Polymers to Hafnium Carbide and Hafnium Nitride Ceramic Fibers and Matrices\u201d; US patent 2002/0165332 A1 2002."
    },
    {
      "key": "e_1_2_6_13_1",
      "volume-title": "High Temperature and Ultrahigh Temperature Ceramic Fibers and Applications",
      "author": "Pope E. J.",
      "year": "2009"
    },
    {
      "key": "e_1_2_6_14_1",
      "first-page": "40",
      "volume-title": "Ceramic Matrix Composites",
      "author": "Lamon J.",
      "year": "2015"
    },
    {
      "key": "e_1_2_6_15_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1080/21663831.2015.1052109"
    },
    {
      "key": "e_1_2_6_16_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4922147"
    },
    {
      "key": "e_1_2_6_17_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ceramint.2015.01.132"
    },
    {
      "key": "e_1_2_6_18_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jallcom.2012.05.114"
    },
    {
      "key": "e_1_2_6_19_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.physb.2013.03.018"
    },
    {
      "key": "e_1_2_6_20_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/14/11/301"
    },
    {
      "issue": "11",
      "key": "e_1_2_6_21_1",
      "doi-asserted-by": "crossref",
      "first-page": "7892",
      "DOI": "10.1103/PhysRevB.41.7892",
      "article-title": "Soft Self\u2010Consistent Pseudopotential in a Generalized Eignevalue Formalism",
      "volume": "41",
      "author": "Vanderbilt D.",
      "year": "1990",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "e_1_2_6_22_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.73.235116"
    },
    {
      "key": "e_1_2_6_23_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.16.1748"
    },
    {
      "key": "e_1_2_6_24_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1006/jcph.1996.5612"
    },
    {
      "key": "e_1_2_6_25_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/13/2/302"
    },
    {
      "key": "e_1_2_6_26_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.368733"
    },
    {
      "key": "e_1_2_6_27_1",
      "volume-title": "Lehrbuch der Kristallohysic",
      "author": "Voigt W.",
      "year": "1928"
    },
    {
      "key": "e_1_2_6_28_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/zamm.19290090104"
    },
    {
      "key": "e_1_2_6_29_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0370-1298/65/5/307"
    },
    {
      "key": "e_1_2_6_30_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jallcom.2003.09.015"
    },
    {
      "key": "e_1_2_6_31_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/BF00797741"
    },
    {
      "key": "e_1_2_6_32_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0022-4596(87)90285-4"
    },
    {
      "key": "e_1_2_6_33_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jmst.2014.09.014"
    },
    {
      "key": "e_1_2_6_34_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jeurceramsoc.2015.08.016"
    },
    {
      "key": "e_1_2_6_35_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1736249"
    },
    {
      "key": "e_1_2_6_36_1",
      "volume-title": "Dynamical Theory of Crystal Lattices",
      "author": "Born M.",
      "year": "1954"
    },
    {
      "key": "e_1_2_6_37_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1080/14786440808520496"
    },
    {
      "key": "e_1_2_6_38_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s100190050114"
    },
    {
      "key": "e_1_2_6_39_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S1005-0302(10)60064-3"
    },
    {
      "issue": "6",
      "key": "e_1_2_6_40_1",
      "first-page": "721",
      "article-title": "Synthesis, Microstructure, and Properties of Cr2AlC",
      "volume": "23",
      "author": "Lin Z. J.",
      "year": "2007",
      "journal-title": "J. Mater. Sci. Technol."
    },
    {
      "key": "e_1_2_6_41_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1551-2916.2007.01803.x"
    },
    {
      "key": "e_1_2_6_42_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.actamat.2007.07.010"
    },
    {
      "key": "e_1_2_6_43_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jeurceramsoc.2008.04.029"
    },
    {
      "key": "e_1_2_6_44_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/jace.12618"
    },
    {
      "key": "e_1_2_6_45_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2005392"
    },
    {
      "key": "e_1_2_6_46_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ijrmhm.2012.02.021"
    },
    {
      "key": "e_1_2_6_47_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.intermet.2011.03.026"
    },
    {
      "key": "e_1_2_6_48_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.91.015502"
    },
    {
      "key": "e_1_2_6_49_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.100.235504"
    },
    {
      "key": "e_1_2_6_50_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.96.085501"
    },
    {
      "key": "e_1_2_6_51_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1151-2916.1988.tb05022.x"
    },
    {
      "key": "e_1_2_6_52_1",
      "volume-title": "Physical Properties of Crystals; Their Representation by Tensors and Matrices",
      "author": "Nye J. F.",
      "year": "1985"
    },
    {
      "key": "e_1_2_6_53_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0022-3727/4/2/312"
    }
  ],
  "container-title": "Journal of the American Ceramic Society",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1111%2Fjace.14195",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1111%2Fjace.14195",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "http://onlinelibrary.wiley.com/wol1/doi/10.1111/jace.14195/fullpdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        9,
        16
      ]
    ],
    "date-time": "2023-09-16T20:46:15Z",
    "timestamp": 1694897175000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://ceramics.onlinelibrary.wiley.com/doi/10.1111/jace.14195"
    }
  },
  "subtitle": [],
  "editor": [
    {
      "given": "G.",
      "family": "Pharr",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2016,
        3,
        8
      ]
    ]
  },
  "references-count": 52,
  "journal-issue": {
    "issue": "6",
    "published-print": {
      "date-parts": [
        [
          2016,
          6
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1111/jace.14195"
  ],
  "URL": "http://dx.doi.org/10.1111/jace.14195",
  "relation": {},
  "ISSN": [
    "0002-7820",
    "1551-2916"
  ],
  "subject": [],
  "container-title-short": "J. Am. Ceram. Soc.",
  "published": {
    "date-parts": [
      [
        2016,
        3,
        8
      ]
    ]
  }
}