相关论文: Elastic constants of beta-eucryptite: A density fu…
This work is motivated by discrete-to-continuum modeling of the mechanics of a graphene sheet, which is a single-atom thick macromolecule of carbon atoms covalently bonded to form a hexagonal lattice. The strong covalent bonding makes the…
A new method is used to measure the stress and elastic constants of purely entropic phantom networks, in which a fraction $p$ of neighbors are tethered by inextensible bonds. We find that close to the percolation threshold $p_c$ the shear…
The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…
Recent confocal experiments on colloidal solids motivate a fuller study of the projection of three-dimensional fluctuations onto a two-dimensional confocal slice. We show that the effective theory of a projected crystal displays several…
Multi-dimensional constrained covariant density functional theories were developed recently. In these theories, all shape degrees of freedom \beta_{\lambda\mu} deformations with even \mu are allowed, e.g., \beta_{20}, \beta_{22},…
We report high magnetic field thermal-expansion and magnetostriction results on CeRhIn$_5$ single crystals. Several transitions, both first and second order, are observed when the field is applied perpendicular to the crystallographic…
We search for a variation of the electromagnetic fine structure constant ($\alpha \equiv e^2/\hbar c$) using a sample of 58 SZ selected clusters in the redshift range ($0.2<z<1.5$) detected by the South Pole Telescope, along with X-ray…
The mechanical properties of hybrid perovskite materials are important for device flexibility, resistance to fracture, epitaxial growth, surface energetics of quantum dots, and induction or relief of stress in thin films due to thermal…
We investigate the emergence of isotropic linear elasticity in amorphous and polycrystalline solids, via extensive numerical simulations. We show that the elastic properties are correlated over a finite length scale $\xi_E$, so that the…
The B/C ratio is used in cosmic-ray physics to constrain the transport parameters. However, from the same set of data, the various published values show a puzzling large scatter of these parameters. We investigate the impact of using…
Choice of appropriate force field is one of the main concerns of any atomistic simulation that needs to be seriously considered in order to yield reliable results. Since, investigations on mechanical behavior of materials at micro/nanoscale…
We determine the elastic moduli of two-dimensional assemblies of disks by computer simulations. The disks interact through elastic contact forces, that oppose the relative displacement at the contact points by means of a normal and a…
This paper brings out results of a measurement campaign aiming to determine the temperature coefficients of synthetic quartz elastic constants at liquid helium temperature. The method is based on the relationship between the resonance…
Following a recent work [E. Fromager, J. Phys. Chem. A 2025, 129, 4, 1143-1155] on the ensemble density functional theory (DFT) of excited electronic energy levels, we derive in this paper the ensuing static linear response theory, thus…
We present effective optical constants of stratified metal-dielectric metameterial. The effective constants are determined by two complex reflectivity method (TCRM). TCRM reveals full components of effective permittivity and permeability…
This paper is devoted to describe the deformations and the elastic energy for structures made of straight rods of thickness $2\delta$ when $\delta$ tends to 0. This analysis relies on the decomposition of the large deformation of a single…
The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal…
The elastic energy functional of a system of discrete dislocation lines is well known from dislocation theory. In this paper we demonstrate how the discrete functional can be used to systematically derive approximations which express the…
Contactless, laser-based resonant ultrasound spectroscopy was utilized to monitor changes in elastic properties in single-crystalline NiTi shape memory alloy. It was observed that the elastic behavior of the temperature-induced B19$^\prime$…
Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. While conceptually simple, the treatment of elastic constants…