Structural and electronic properties of Ni5Nb3Zr5 clusters as a local structural unit of Ni-Nb-Zr glassy alloys View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2011-06-09

AUTHORS

N. Fujima, K. Hara, T. Hoshino, M. Fukuhara

ABSTRACT

We calculate electronic states of fifty icosahedral Ni5Nb3Zr5 clusters and optimize their structures by first principles calculations within the generalized gradient approximation. Based on the energetic stability and the atomic configuration, we search for some candidates for the local structural units of Ni36Nb24Zr40 glassy alloys by comparing with the experimental data measured by the XAFS method. The Ni-centered icosahedral Ni5Nb3Zr5 clusters containing a Nb-triangle are proposed as the structural units, which in turn combine into local structures of the glassy alloy. More... »

PAGES

177-181

Identifiers

URI

http://scigraph.springernature.com/pub.10.1140/epjd/e2011-10514-9

DOI

http://dx.doi.org/10.1140/epjd/e2011-10514-9

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1001474164


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/02", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Physical Sciences", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan", 
          "id": "http://www.grid.ac/institutes/grid.263536.7", 
          "name": [
            "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Fujima", 
        "givenName": "N.", 
        "id": "sg:person.010433664755.24", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010433664755.24"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan", 
          "id": "http://www.grid.ac/institutes/grid.263536.7", 
          "name": [
            "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Hara", 
        "givenName": "K.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan", 
          "id": "http://www.grid.ac/institutes/grid.263536.7", 
          "name": [
            "Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Hoshino", 
        "givenName": "T.", 
        "id": "sg:person.012573520635.21", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012573520635.21"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute for Materials Research, Tohoku University, 980-8577, Sendai, Japan", 
          "id": "http://www.grid.ac/institutes/grid.69566.3a", 
          "name": [
            "Institute for Materials Research, Tohoku University, 980-8577, Sendai, Japan"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Fukuhara", 
        "givenName": "M.", 
        "id": "sg:person.0665444361.81", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0665444361.81"
        ], 
        "type": "Person"
      }
    ], 
    "datePublished": "2011-06-09", 
    "datePublishedReg": "2011-06-09", 
    "description": "Abstract\nWe calculate electronic states of fifty icosahedral\nNi5Nb3Zr5 clusters and optimize their structures by\nfirst principles calculations within the generalized gradient approximation. Based on the\nenergetic stability and the atomic configuration, we search for some candidates for the\nlocal structural units of Ni36Nb24Zr40 glassy alloys by\ncomparing with the experimental data measured by the XAFS method. The Ni-centered\nicosahedral Ni5Nb3Zr5 clusters containing a Nb-triangle\nare proposed as the structural units, which in turn combine into local structures of the\nglassy alloy.", 
    "genre": "article", 
    "id": "sg:pub.10.1140/epjd/e2011-10514-9", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isFundedItemOf": [
      {
        "id": "sg:grant.6060424", 
        "type": "MonetaryGrant"
      }
    ], 
    "isPartOf": [
      {
        "id": "sg:journal.1398043", 
        "issn": [
          "1155-4312", 
          "1286-4870"
        ], 
        "name": "The European Physical Journal D", 
        "publisher": "Springer Nature", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "2", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "63"
      }
    ], 
    "keywords": [
      "glassy alloys", 
      "Ni\u2013Nb", 
      "alloy", 
      "experimental data", 
      "structural units", 
      "local structural units", 
      "first principles calculations", 
      "electronic properties", 
      "principles calculations", 
      "glassy", 
      "structure", 
      "Ni", 
      "properties", 
      "atomic configurations", 
      "stability", 
      "configuration", 
      "gradient approximation", 
      "local structure", 
      "units", 
      "energetic stability", 
      "calculations", 
      "method", 
      "approximation", 
      "candidates", 
      "XAFS method", 
      "turn", 
      "state", 
      "data", 
      "electronic states", 
      "clusters", 
      "Ni5Nb3Zr5 clusters", 
      "Ni36Nb24Zr40 glassy alloys", 
      "icosahedral Ni5Nb3Zr5 clusters", 
      "Nb-triangle", 
      "Zr glassy"
    ], 
    "name": "Structural and electronic properties of Ni5Nb3Zr5 clusters as a local structural unit of Ni-Nb-Zr glassy alloys", 
    "pagination": "177-181", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1001474164"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1140/epjd/e2011-10514-9"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1140/epjd/e2011-10514-9", 
      "https://app.dimensions.ai/details/publication/pub.1001474164"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-01-01T18:25", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220101/entities/gbq_results/article/article_540.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1140/epjd/e2011-10514-9"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1140/epjd/e2011-10514-9'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1140/epjd/e2011-10514-9'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1140/epjd/e2011-10514-9'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1140/epjd/e2011-10514-9'


 

This table displays all metadata directly associated to this object as RDF triples.

114 TRIPLES      21 PREDICATES      59 URIs      52 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1140/epjd/e2011-10514-9 schema:about anzsrc-for:02
2 schema:author Nb1d0924d5d9c43caa9ca54e0401d9711
3 schema:datePublished 2011-06-09
4 schema:datePublishedReg 2011-06-09
5 schema:description Abstract We calculate electronic states of fifty icosahedral Ni5Nb3Zr5 clusters and optimize their structures by first principles calculations within the generalized gradient approximation. Based on the energetic stability and the atomic configuration, we search for some candidates for the local structural units of Ni36Nb24Zr40 glassy alloys by comparing with the experimental data measured by the XAFS method. The Ni-centered icosahedral Ni5Nb3Zr5 clusters containing a Nb-triangle are proposed as the structural units, which in turn combine into local structures of the glassy alloy.
6 schema:genre article
7 schema:inLanguage en
8 schema:isAccessibleForFree false
9 schema:isPartOf N7bf2101b2ef042fc98440e945fe81400
10 N8592ce1e069444e291008d5be4c0c05e
11 sg:journal.1398043
12 schema:keywords Nb-triangle
13 Ni
14 Ni36Nb24Zr40 glassy alloys
15 Ni5Nb3Zr5 clusters
16 Ni–Nb
17 XAFS method
18 Zr glassy
19 alloy
20 approximation
21 atomic configurations
22 calculations
23 candidates
24 clusters
25 configuration
26 data
27 electronic properties
28 electronic states
29 energetic stability
30 experimental data
31 first principles calculations
32 glassy
33 glassy alloys
34 gradient approximation
35 icosahedral Ni5Nb3Zr5 clusters
36 local structural units
37 local structure
38 method
39 principles calculations
40 properties
41 stability
42 state
43 structural units
44 structure
45 turn
46 units
47 schema:name Structural and electronic properties of Ni5Nb3Zr5 clusters as a local structural unit of Ni-Nb-Zr glassy alloys
48 schema:pagination 177-181
49 schema:productId N2485225d7b3a4047b083dd32f1a8a8f7
50 N270107b71ebe44408a3c7419d30a4dea
51 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001474164
52 https://doi.org/10.1140/epjd/e2011-10514-9
53 schema:sdDatePublished 2022-01-01T18:25
54 schema:sdLicense https://scigraph.springernature.com/explorer/license/
55 schema:sdPublisher N2ff3b7e7b8ac4bc79c3e093af7e1b4b4
56 schema:url https://doi.org/10.1140/epjd/e2011-10514-9
57 sgo:license sg:explorer/license/
58 sgo:sdDataset articles
59 rdf:type schema:ScholarlyArticle
60 N2485225d7b3a4047b083dd32f1a8a8f7 schema:name dimensions_id
61 schema:value pub.1001474164
62 rdf:type schema:PropertyValue
63 N270107b71ebe44408a3c7419d30a4dea schema:name doi
64 schema:value 10.1140/epjd/e2011-10514-9
65 rdf:type schema:PropertyValue
66 N2a3a8eea7fe741f1857e983e35957934 schema:affiliation grid-institutes:grid.263536.7
67 schema:familyName Hara
68 schema:givenName K.
69 rdf:type schema:Person
70 N2ff3b7e7b8ac4bc79c3e093af7e1b4b4 schema:name Springer Nature - SN SciGraph project
71 rdf:type schema:Organization
72 N460b532170e24506868ecf2a8216e5da rdf:first sg:person.0665444361.81
73 rdf:rest rdf:nil
74 N52396bb96f5d41459d5eba70e8a1a2b9 rdf:first N2a3a8eea7fe741f1857e983e35957934
75 rdf:rest N898d2991722f423c9f883b26a196c6d7
76 N7bf2101b2ef042fc98440e945fe81400 schema:issueNumber 2
77 rdf:type schema:PublicationIssue
78 N8592ce1e069444e291008d5be4c0c05e schema:volumeNumber 63
79 rdf:type schema:PublicationVolume
80 N898d2991722f423c9f883b26a196c6d7 rdf:first sg:person.012573520635.21
81 rdf:rest N460b532170e24506868ecf2a8216e5da
82 Nb1d0924d5d9c43caa9ca54e0401d9711 rdf:first sg:person.010433664755.24
83 rdf:rest N52396bb96f5d41459d5eba70e8a1a2b9
84 anzsrc-for:02 schema:inDefinedTermSet anzsrc-for:
85 schema:name Physical Sciences
86 rdf:type schema:DefinedTerm
87 sg:grant.6060424 http://pending.schema.org/fundedItem sg:pub.10.1140/epjd/e2011-10514-9
88 rdf:type schema:MonetaryGrant
89 sg:journal.1398043 schema:issn 1155-4312
90 1286-4870
91 schema:name The European Physical Journal D
92 schema:publisher Springer Nature
93 rdf:type schema:Periodical
94 sg:person.010433664755.24 schema:affiliation grid-institutes:grid.263536.7
95 schema:familyName Fujima
96 schema:givenName N.
97 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010433664755.24
98 rdf:type schema:Person
99 sg:person.012573520635.21 schema:affiliation grid-institutes:grid.263536.7
100 schema:familyName Hoshino
101 schema:givenName T.
102 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012573520635.21
103 rdf:type schema:Person
104 sg:person.0665444361.81 schema:affiliation grid-institutes:grid.69566.3a
105 schema:familyName Fukuhara
106 schema:givenName M.
107 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0665444361.81
108 rdf:type schema:Person
109 grid-institutes:grid.263536.7 schema:alternateName Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan
110 schema:name Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan
111 rdf:type schema:Organization
112 grid-institutes:grid.69566.3a schema:alternateName Institute for Materials Research, Tohoku University, 980-8577, Sendai, Japan
113 schema:name Institute for Materials Research, Tohoku University, 980-8577, Sendai, Japan
114 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...