Temperature-invariant crystal-glass heat conduction: from meteorites to refractories

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{
  "metadata": {
    "edited_by": 576, 
    "owner": 600, 
    "_oai": {
      "id": "oai:materialscloud.org:2207"
    }, 
    "description": "The thermal conductivities of crystals and glasses vary strongly and with opposite trends upon heating, decreasing in crystals and increasing in glasses. Here, we show---with first-principles predictions based on the Wigner transport equation and thermoreflectance experiments---that the dominant transport mechanisms of crystals (particle-like propagation) and glasses (wave-like tunnelling) can coexist and compensate in materials with crystalline bond order and nearly glassy bond geometry. We demonstrate that ideal compensation emerges in silica tridymite, carved from a meteorite found in Steinbach (Germany) in 1724, and yields a \u2018Propagation-Tunneling-Invariant\u2019 (PTI) conductivity that is independent of temperature and intermediate between the opposite trends of \u03b1-quartz crystal and silica glass. We show how such PTI conductivity occurs in the quantum regime below the Debye temperature, and can largely persist at high temperatures in a geometrically amorphous tridymite phase found in refractory bricks fired for years in furnaces for steel smelting. Overall, we elucidate how disorder in the bond geometry determines the macroscopic conductivity, providing guidance to design materials for heat management, electronics, and phononics. We discuss implications to heat transfer in solids exposed to extreme temperature variations, ranging from planetary cooling to heating protocols to reduce the carbon footprint of industrial furnaces.\n\nThis record contains the atomic structures studied of \u03b1-quartz crystal, average (AV) tridymite, monoclinic (MC) meteoritic tridymite, Topologically Ordered and Geometrically Amorphous (TOGA) HP tridymite, and silica glass.", 
    "mcid": "2024.84", 
    "id": "2207", 
    "license": "Creative Commons Attribution Non Commercial Share Alike 4.0 International", 
    "license_addendum": null, 
    "references": [
      {
        "citation": "M. Simoncelli, D. Fournier, M. Marangolo, E. Balan, K. B\u00e9neut, B. Baptiste, B. Doisneau, N. Marzari, and F. Mauri, arXiv:2405.13161 (2024)", 
        "type": "Preprint", 
        "url": "https://doi.org/10.48550/arXiv.2405.13161", 
        "comment": "Preprint where the data are discussed", 
        "doi": "10.48550/arXiv.2405.13161"
      }
    ], 
    "doi": "10.24435/materialscloud:3k-v7", 
    "keywords": [
      "tridymite", 
      "vitreous silica", 
      "quartz", 
      "TOGA HP tridymite"
    ], 
    "contributors": [
      {
        "affiliations": [
          "Theory of Condensed Matter Group of the Cavendish Laboratory, University of Cambridge (UK)"
        ], 
        "familyname": "Simoncelli", 
        "email": "ms2855@cam.ac.uk", 
        "givennames": "Michele"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut des NanoSciences de Paris, INSP, UMR7588, F-75005 Paris, France"
        ], 
        "familyname": "Fournier", 
        "givennames": "Daniele"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut des NanoSciences de Paris, INSP, UMR7588, F-75005 Paris, France"
        ], 
        "familyname": "Marangolo", 
        "givennames": "Massimiliano"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut de Min\u00e9ralogie, de Physique des Mat\u00e9riaux et de Cosmochimie, 75252 Paris, France"
        ], 
        "familyname": "Balan", 
        "givennames": "Etienne"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut de Min\u00e9ralogie, de Physique des Mat\u00e9riaux et de Cosmochimie, 75252 Paris, France"
        ], 
        "familyname": "B\u00e9neut", 
        "givennames": "Keevin"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut de Min\u00e9ralogie, de Physique des Mat\u00e9riaux et de Cosmochimie, 75252 Paris, France"
        ], 
        "familyname": "Baptiste", 
        "givennames": "Benoit"
      }, 
      {
        "affiliations": [
          "Sorbonne Universit\u00e9, CNRS, Institut de Min\u00e9ralogie, de Physique des Mat\u00e9riaux et de Cosmochimie, 75252 Paris, France"
        ], 
        "familyname": "Doisneau", 
        "givennames": "B\u00e9atrice"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials, and National Centre for Computational Design and Discovery of Novel Materials, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, Lausanne, Switzerland"
        ], 
        "familyname": "Marzari", 
        "givennames": "Nicola"
      }, 
      {
        "affiliations": [
          "Dipartimento di Fisica, Universit\u00e0 di Roma La Sapienza, Italy"
        ], 
        "familyname": "Mauri", 
        "givennames": "Francesco"
      }
    ], 
    "conceptrecid": "2206", 
    "version": 1, 
    "publication_date": "Jun 07, 2024, 09:45:49", 
    "is_last": true, 
    "status": "published", 
    "_files": [
      {
        "size": 330027, 
        "checksum": "md5:c2c7f12965d877a0649000a20a1f48fc", 
        "description": "Atomic structures in POSCAR format of various SiO2 polymorphs", 
        "key": "data.zip"
      }
    ], 
    "title": "Temperature-invariant crystal-glass heat conduction: from meteorites to refractories"
  }, 
  "id": "2207", 
  "updated": "2024-06-07T07:45:49.527507+00:00", 
  "created": "2024-06-06T22:24:07.203778+00:00", 
  "revision": 4
}