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Related papers: Soft Manifold Dynamics Behind Negative Thermal Exp…

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Previous experiments and numerical simulations have revealed that a limited number of two- and three-dimensional particle systems contract in volume upon heating isobarically. This anomalous phenomenon is known as negative thermal expansion…

Soft Condensed Matter · Physics 2025-07-21 Igor Travěnec , Ladislav Šamaj

We have devised an isotropic interaction potential that gives rise to negative thermal expansion (NTE) behavior in equilibrium many-particle systems in both two and three dimensions over a wide temperature and pressure range (including zero…

Materials Science · Physics 2008-07-24 Mikael C. Rechtsman , Frank H. Stillinger , Salvatore Torquato

Negative thermal expansion (NTE) - the phenomenon where some materials shrink rather than expand when heated - is both intriguing and useful, but remains poorly understood. Current understanding hinges on the role of specific vibrational…

Materials Science · Physics 2020-09-23 Martin T Dove , Juan Du , Zhongsheng Wei , David A Keen , Matthew G Tucker , Anthony E Phillips

Pressure and temperature dependence of the negative thermal expansion in Zn(CN)$_2$ is fully investigated using molecular dynamics simulations with a built potential model. The advantage of this study allows us to reproduce all the exotic…

Materials Science · Physics 2014-07-02 Hong Fang , Martin T. Dove , Leila H. N. Rimmer , Alston J. Misquitta

We have investigated temperature dependence of the lattice parameters and the unit cell volume of ZnF$_2$ by neutron diffraction and have discovered negative thermal expansion (NTE) at low temperature. To understand why this simple compound…

Materials Science · Physics 2012-07-03 Tapan Chatterji , Mohamed Zbiri , Thomas C. Hansen

In this study, we report for the first time the occurrence and investigation of the negative thermal expansion (NTE) effect in rare-earth pyrochlores. It is found that the NTE originates from the migration of oxygen anions from 48f sites to…

Materials Science · Physics 2025-07-24 Yuxuan Wang , Guoqiang Lan , Jun Song

Negative thermal expansion (NTE) describes the anomalous propensity of materials to shrink when heated. Since its discovery, the NTE effect has been found in a wide variety of materials with an array of magnetic, electronic and structural…

Materials Science · Physics 2018-11-09 Connor A. Occhialini , G. G. Guzmán-Verri , Sahan U. Handunkanda , Jason N. Hancock

We study negative thermal expansion (NTE) in model lattices with multiple atoms per cell and first- and second-nearest neighbor interactions using the (anharmonic) Morse potential. By exploring the phase space of neighbor distances and…

Materials Science · Physics 2016-06-15 Joseph T. Schick , Andrew M. Rappe

The negative thermal expansion (NTE) mechanism in Cu2O has been characterised via mapping of different Cu2O structural flexibility models onto phonons obtained using ab-initio lattice dynamics. Low frequency acoustic modes that are…

Many ceramic and hybrid metal-organic framework materials show negative thermal expansion (NTE): they \textit{contract} instead of expanding on heating \cite{Barrera_Miller_Lind_Romao 2005}. Their structures are invariably characterised as…

Materials Science · Physics 2014-07-02 Hong Fang , Martin T. Dove , Anthony E. Phillips

We use a symmetry-motivated approach to analyse neutron pair distribution function data to investigate the mechanism of negative thermal expansion (NTE) in ReO$_3$. This analysis shows that the local structure of ReO$_3$ is dominated by an…

ZrW$_{2}$O$_{8}$ is the prototypical example of a material exhibiting negative thermal expansion (NTE). It is now widely accepted that in ZrW$_{2}$O$_{8}$, and in many other framework materials exhibiting NTE, a collection of low energy…

Materials Science · Physics 2025-07-16 R. A. Ewings , A. I. Duff , K. Refson , T. G. Perring , J. Ollivier

Magnetism-induced negative thermal expansion (NTE) observed in inverse perovskite antiferromagnets Mn3AN (A=Zn, Ga, etc.) is theoretically studied by a classical spin model with competing bond-length-dependent exchange interactions. We…

Strongly Correlated Electrons · Physics 2019-02-26 Masaya Kobayashi , Masahito Mochizuki

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…

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…

Materials Science · Physics 2015-06-05 Vanessa E. Fairbank , Amber L. Thompson , Richard I. Cooper , Andrew L. Goodwin

The phenomenon of negative thermal expansion (NTE) deals with the increase of the lattice parameters and the volume of the unit cell when the material is thermally cooled. The NTE is typically associated with thermal phonons and anomalous…

Strongly Correlated Electrons · Physics 2023-03-10 Wojciech Brzezicki , Filomena Forte , Canio Noce , Mario Cuoco , Andrzej M. Oleś

The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE)…

Materials Science · Physics 2014-01-28 Ville J. Härkönen , Antti J. Karttunen

The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only in scientific interests but also in practical applications.…

The thermal expansion effect of silicon nanowires (SiNW) in [100], [110] and [111] directions with different sizes is theoretically investigated. At low temperatures, all SiNW studied exhibit thermal contraction effect due to the lowest…

Materials Science · Physics 2015-05-14 Jin-Wu Jiang , Jian-Sheng Wang , Baowen Li

We report on negative thermal expansion (NTE) in the high-field, half-magnetization plateau phase of the frustrated magnetic insulator CdCr2O4. Using dilatometry, we precisely map the phase diagram at fields of up to 30T, and identify a…

Strongly Correlated Electrons · Physics 2019-07-15 L. Rossi , A. Bobel , S. Wiedmann , R. Küchler , Y. Motome , K. Penc , N. Shannon , H. Ueda , B. Bryant
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