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Title: Entropic elasticity and negative thermal expansion in a simple cubic crystal

Abstract

While most solids expand when heated, some materials show the opposite behavior: negative thermal expansion (NTE). In polymers and biomolecules, NTE originates from the entropic elasticity of an ideal, freely jointed chain. The origin of NTE in solids has been widely believed to be different. Our neutron scattering study of a simple cubic NTE material, ScF3, overturns this consensus. We observe that the correlation in the positions of the neighboring fluorine atoms rapidly fades on warming, indicating an uncorrelated thermal motion con-strained by the rigid Sc-F bonds. This leads us to a quantitative theory of NTE in terms of entropic elasticity of a floppy network crystal, which is in remarkable agreement with experimental results. We thus reveal the formidable universality of the NTE phenomenon in soft and hard matter.

Authors:
 [1];  [2];  [3];  [3];  [4];  [5];  [6];  [2]; ORCiD logo [2]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States); Island Trees High School, Levittown, NY (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Brookhaven National Lab. (BNL), Upton, NY (United States); Shanghai Jiao Tong Univ. (China)
  5. Brookhaven National Lab. (BNL), Upton, NY (United States); GE Healthcare, Chicago, IL (United States)
  6. California Inst. of Technology (CalTech), Pasadena, CA (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1572369
Report Number(s):
BNL-212242-2019-JAAM
Journal ID: ISSN 2375-2548
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Science Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 11; Journal ID: ISSN 2375-2548
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Wendt, David, Bozin, Emil, Neuefeind, Joerg, Page, Katharine, Ku, Wei, Wang, Limin, Fultz, Brent, Tkachenko, Alexei V., and Zaliznyak, Igor A. Entropic elasticity and negative thermal expansion in a simple cubic crystal. United States: N. p., 2019. Web. doi:10.1126/sciadv.aay2748.
Wendt, David, Bozin, Emil, Neuefeind, Joerg, Page, Katharine, Ku, Wei, Wang, Limin, Fultz, Brent, Tkachenko, Alexei V., & Zaliznyak, Igor A. Entropic elasticity and negative thermal expansion in a simple cubic crystal. United States. doi:10.1126/sciadv.aay2748.
Wendt, David, Bozin, Emil, Neuefeind, Joerg, Page, Katharine, Ku, Wei, Wang, Limin, Fultz, Brent, Tkachenko, Alexei V., and Zaliznyak, Igor A. Fri . "Entropic elasticity and negative thermal expansion in a simple cubic crystal". United States. doi:10.1126/sciadv.aay2748. https://www.osti.gov/servlets/purl/1572369.
@article{osti_1572369,
title = {Entropic elasticity and negative thermal expansion in a simple cubic crystal},
author = {Wendt, David and Bozin, Emil and Neuefeind, Joerg and Page, Katharine and Ku, Wei and Wang, Limin and Fultz, Brent and Tkachenko, Alexei V. and Zaliznyak, Igor A.},
abstractNote = {While most solids expand when heated, some materials show the opposite behavior: negative thermal expansion (NTE). In polymers and biomolecules, NTE originates from the entropic elasticity of an ideal, freely jointed chain. The origin of NTE in solids has been widely believed to be different. Our neutron scattering study of a simple cubic NTE material, ScF3, overturns this consensus. We observe that the correlation in the positions of the neighboring fluorine atoms rapidly fades on warming, indicating an uncorrelated thermal motion con-strained by the rigid Sc-F bonds. This leads us to a quantitative theory of NTE in terms of entropic elasticity of a floppy network crystal, which is in remarkable agreement with experimental results. We thus reveal the formidable universality of the NTE phenomenon in soft and hard matter.},
doi = {10.1126/sciadv.aay2748},
journal = {Science Advances},
number = 11,
volume = 5,
place = {United States},
year = {2019},
month = {11}
}

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