Related papers: Descriptors for thermal expansion in solids
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…
Stresses caused by thermal expansion coefficients mismatch of anodically bonded glass and silicon samples are studied. An analytical model to determine graphically the optimum bonding temperature is presented. It is essentially a model for…
The thermal properties of materials are critically important to various technologies and are increasingly the target of materials design efforts. However, it is only relatively recent advances in first-principles computational techniques…
Metal-organic frameworks often display large positive or negative thermal expansion coefficients. MOF-74, a material envisioned for many applications does not display such a behavior. For this system, temperature-dependent x-ray diffraction…
Inspired by some recent experiments and numerical works related to nanoresonators, we perform classical molecular dynamics simulations to investigate the thermal expansion and the ability of the device to act as a strain sensor assisted by…
Due to their low density and large specific surface area, metal foams are increasingly used as cellular materials that combine excellent structural and thermal properties. Their cellular structure makes them particularly suitable for use in…
Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
We measured the absolute lengths of three single crystal silicon samples by means of an imaging Twyman-Green interferometer in the temperature range from 7 K to 293 K with uncertainties of about 1 nm. From these measurements we extract the…
Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here for the first time, for the use of MOFs as platforms for controlling thermal expansion…
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…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
Anisotropic thermal expansion plays a critical role in the performance and reliability of functional materials, yet its theoretical description remains limited. Here, a computational framework that reduces the calculation of thermal…
To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…
Rocks are important examples for solid materials where, in various engineering situations, elastic, thermal expansion, rheological/viscoelastic and plastic phenomena each may play a remarkable role. Nonequilibrium continuum thermodynamics…
Theoretically predicted linear correlation between the volume coefficient of thermal expansion and the thermal heat capacity was investigated for highly symmetrical atomic arrangements. Normalizing the data of these thermodynamic parameters…
In this Tutorial, we describe the use of the quasiharmonic approximation and first-principles density functional theory (DFT) to calculate and analyze the thermal expansion of insulating solids. We discuss the theory underlying the…
Engaging with physical and material properties through empirical observation is a fundamental part of undergraduate physics and engineering education. Several works have proposed experiments to determine thermal physical constants of…
We report a comparative study of the dynamics of Cu2O, Ag2O and Au2O (i.e. M2O with M = Au, Ag and Cu) using first principle calculations based on the density functional theory. Here for the first time we show that the nature of chemical…
Experiments show that all the derivatives of the thermo-physical variables are nearly constant. The constant value of the derivatives indicates linear relationship between the variables. Neither the volume coefficient of thermal expansion…