相关论文: Quasiharmonic elastic constants corrected for devi…
Quasicrystals are characterized by quasi-periodic arrangements of atoms. The description of their mechanics involves deformation and a (so called phason) vector field accounting at macroscopic scale of local phase changes, due to atomic…
In this research, we introduce and investigate an approximation method that preserves the structural integrity of the non-isothermal Cahn-Hilliard-Navier-Stokes system. Our approach extends a previously proposed technique [1], which…
We evaluate the transport properties such as shear viscosity ($\eta$), bulk viscosity ($\zeta$) and their ratios over entropy density ($s$) for hadronic matter using relativistic non-extensive Boltzmann transport equation (NBTE) in…
Halide perovskites have emerged as one of the most interesting materials for optoelectronic applications due to their favorable properties, such as defect-tolerance and long charge carrier lifetimes, which are attributed to their dynamic…
Hypo-elastoplasticity is a framework suitable for modeling the mechanics of many hard materials that have small elastic deformation and large plastic deformation. In most laboratory tests for these materials the Cauchy stress is in…
Beginning with Cosserat theory in the early 20th century, there have been several different formulations for size-dependent elastic response. In this paper, we concentrate on the application of classical Cauchy theory and the recent…
A force-based optimization method is proposed to apply the first and second kind of Piola-Kirchhoff stresses in molecular statics simulation. This method is important for finite deformation problems in which the atomistic behavior can be…
Solid-state spin defects, especially nuclear spins with potentially achievable long coherence times, are compelling candidates for quantum memories and sensors. However, their current performances are still limited by the decoherence due to…
In this study Mo-Nb-Ta-W refractory high-entropy alloys (R-HEAs) have been studied for their phase stability for a wide temperature range (100 K to 2000 K). The equilibrium thermodynamic phases are determined by the changes in enthalpy and…
A model is derived for the viscoelastic response of glasses at isothermal uniaxial deformation with small strains. A glass is treated as an ensemble of relaxing units with various activation energies for rearrangement. With reference to the…
The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, \DeltaT, is…
The hadronic parameters of pseudoscalar ($\eta_c$) and scalar ($\chi_c$) charmonium are determined at finite temperature from Hilbert moment QCD sum rules. These parameters are the hadron mass, leptonic decay constant, total width, and…
We consider the problem of extraction and validation of matching rules, directly from the phased diffraction data of a quasicrystal, and propose an algorithmic procedure to produce the rules of the shortest possible range. We have developed…
We introduce a new class of mixed finite element methods for 2D and 3D compressible nonlinear elasticity. The independent unknowns of these conformal methods are displacement, displacement gradient, and the first Piola-Kirchhoff stress…
Quantitative evaluations of the free energy of materials must take into account thermal and zero-point energy fluctuations. While these effects can easily be estimated within a harmonic approximation, corrections arising from the anharmonic…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al--Cu--Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density…
Dielectric spectroscopy of $SrTiO_3$ single crystal over a broad range of microwave frequency using quasi $TE_{m,1,1}$ and quasi $TM_{m,1,1}$ modes reveals crystal asymmetry from typical measurement of $Q$-factor, transmission or frequency…
The crystal symmetry of a material dictates the type of topological band structures it may host, and therefore symmetry is the guiding principle to find topological materials. Here we introduce an alternative guiding principle, which we…
Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well-understood. Adapting harmonic phonons to the specific volume at temperature, the quasiharmonic approximation, has become accepted for…