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The structural dynamics of a 1D mixed-metal cyanide, Cu$_{1/3}$Ag$_{1/3}$Au$_{1/3}$CN, with intriguing thermal properties is explored. All the current known related compounds with straight-chain structures, such as CuCN, AgCN, AuCN and…

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

Origin and composition dependence of the anisotropic thermomechanical properties are elucidated for Ba1-xSrxZn2Si2O7 (BZS) solid solutions. The high-temperature phase of BZS shows negative thermal expansion (NTE) along one crystallographic…

We have investigated the anisotropic thermal expansion of graphite using ab-initio calculation of lattice dynamics and anharmonicity of the phonons, which reveal that the negative thermal expansion (NTE) in the a-b plane below 600 K and…

Materials Science · Physics 2021-05-05 Ranjan Mittal , Mayanak K. Gupta , Baltej Singh , S. K. Mishra , Samrath L. Chaplot

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 thermal properties of asymmetric nuclear matter are investigated in a relativistic mean- field approach. We start from free space NN-interactions and derive in-medium self-energies by Dirac-Brueckner theory. By the DDRH procedure we…

Nuclear Theory · Physics 2015-03-11 Andreas Fedoseew , Horst Lenske

The negative thermal expansion (NTE) materials, which can act as thermal-expansion compensators to counteract the positive thermal expansion, have great applications merit in precision engineering. However, the exploration of NTE behavior…

Minimal models are developed to examine the origin of large negative thermal expansion (NTE) in under-constrained systems. The dynamics of these models reveals how underconstraint can organize a thermodynamically extensive manifold of…

Materials Science · Physics 2009-11-13 Z. Schlesinger , J. A. Rosen , J. N. Hancock , A. P. Ramirez

The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…

Nuclear Theory · Physics 2013-05-13 C. O. Dorso , P. A. Giménez Molinelli , J. I. Nichols , J. A. López

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

Motivated by gravitational wave observations of binary neutron-star mergers, we study the thermal index of low-density, high-temperature dense matter. We use the virial expansion to account for nuclear interaction effects. We focus on the…

Nuclear Theory · Physics 2025-07-22 Giuseppe Rivieccio , Adriana Nadal-Matosas , Arnau Rios , Milton Ruiz

Negative differential thermal resistance (NDTR) in approximate graphene nanoribbons (GNRs) is investigated from one dimension to three dimensions by using classical molecular dynamics method. For single-layer GNRs, NDTR can not be observed…

Mesoscale and Nanoscale Physics · Physics 2014-07-29 Bao-quan Ai , Wei-rong Zhong , Bambi Hu

Controlling the thermal expansion of materials is of great technological importance. Uncontrolled thermal expansion can lead to failure or irreversible destruction of structures and devices. In ordinary crystals, thermal expansion is…

Materials Science · Physics 2016-10-10 Jingyuan Qu , Muamer Kadic , Andreas Naber , Martin Wegener

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

Localized laser heating creates temperature gradients in all directions and thus leads to three-dimensional electron flux in metallic materials. Temperature gradients in combination with material magnetization generate thermomagnetic…

The properties of thermal material coexisting with non-thermal emitting plasma and strong magnetic field in the powerful jets of Active Galactic Nuclei (AGN) are examined. Theoretical and observational constraints on the physical properties…

Astrophysics · Physics 2007-05-23 A. Celotti , Z. Kuncic , M. J. Rees , J. F. C. Wardle

GeTe is a prototypical phase change material of high interest for applications in optical and electronic non-volatile memories. We present an interatomic potential for the bulk phases of GeTe, which is created using a neural network (NN)…

Materials Science · Physics 2012-08-02 Gabriele C. Sosso , Giacomo Miceli , Sebastiano Caravati , Jörg Behler , Marco Bernasconi

The transition-metal dicyanides M(CN)$_2$ (M = Zn, Cd) are amongst the most important negative thermal expansion (NTE) materials known, favoured for the magnitude, isotropy, and thermal persistence of the NTE behaviour they show. The…

Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance…

Materials Science · Physics 2022-09-29 A. A. Likhachev , Yu. N. Koval , T. G. Sych , V. A. Tatarenko

The process of the Joule-Thomson adiabatic expansion within RNED-AdS spacetime is investigated. The isenthalpic P-T diagrams and the inversion temperature were depicted. The inversion temperature depends on the magnetic charge and RNED…

General Physics · Physics 2023-04-06 S. I. Kruglov