Related papers: Negative thermal expansion in single-component sys…
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…
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…
Recently, $\beta$-Te (atomically 2D tellurium) with rectangular crystal structure has been synthesized successfully on highly oriented pyrolytic graphite substrates by using molecular beam epitaxy. It has been found possessing remarkable…
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…
The nonequilibrium Green's function method is applied to investigate the coefficient of thermal expansion (CTE) in single-walled carbon nanotubes (SWCNT) and graphene. It is found that atoms deviate about 1% from equilibrium positions at…
Materials with negative thermal expansion (NTE), which contract upon heating, are of great interest both technically and fundamentally. Here, we report giant NTE covering room temperature in mechanically milled antiperovksite GaNxMn3…
Negative thermal expansion is an unusual phenomenon appearing in only a handful of materials, but pursuit and mastery of the phenomenon holds great promise for applications across disciplines and industries. Here we report use of X-ray…
We consider the thermal expansion, change of sound velocity with pressure and temperature, and the Poisson ratio of lattices which have rigid units (polyhedra very large stiffness to change in bond-length and to bond-angle variations)…
The physical properties of the spinel LiGaCr4S8 have been studied with neutron diffraction, X-ray diffraction, magnetic susceptibility and heat capacity measurements. The neutron diffraction and synchrotron X-ray diffraction data reveal…
The controversial existence of negative temperatures has stirred interesting debates that have reached the foundations of thermodynamics, including questions on the second law, the Carnot efficiency and the statistical definition of…
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…
The pressure-temperature phase diagram of a one-component system, with particles interacting through a spherically symmetric pair potential in two dimensions is studied. The interaction consists of a hard core plus an additional repulsion…
It has been observed in both natural and man-made materials that volume sometimes decreases with increasing temperature. Though mechanistic understanding has been gained for some individual materials, a general answer to the question "Why…
The thermal entanglement in a two-spin-qutrit system with two spins coupled by exchange interaction under a magnetic field in an arbitrary direction is investigated. Negativity, the measurement of entanglement, is calculated. We find that…
We study the dynamical behavior of a square lattice Ising model with exchange and dipolar interactions by means of Monte Carlo simulations. After a sudden quench to low temperatures we find that the system may undergo a coarsening process…
ZnNi(CN)$_4$ is a 3D framework material consisting of two interpenetrating PtS-type networks in which tetrahedral [ZnN$_4$] units are linked by square-planar [NiC$_4$] units. Both the parent compounds, cubic Zn(CN)$_2$ and layered…
We find a design principle for tailoring thermal expansion properties in nearly-spherical molecular networks. Using 2D fullerene networks as a representative system, we realize positive thermal expansion along intermolecular [2\,+\,2]…
We theoretically propose possible magnetism-induced negative thermal expansion in honeycomb-lattice antiferromagnets with edge-sharing networks of $MX_6$ octahedra where $M$ and $X$ are transition-metal and ligand ions, respectively. In…
Based on statistical mechanics, a macroscopically homogeneous system, i.e., a single phase in the present context, is composed of many independent configurations that the system embraces. The macroscopical properties of the system are…
We study heat conduction through one-dimensional homogeneous lattices in the presence of the nonlinear on-site potentials containing the bounded and unbounded parts, and the harmonic interaction potential. We observe the occurrence of…