Related papers: Optimized methodology for the calculation of elect…
The elastic tensor provides valuable insight into the mechanical behavior of a material with lattice strain, such as disordered binary alloys. Traditional stress-strain methods have made it possible to compute elastic constants for ordered…
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…
We show here how density functional theory calculations can be used to predict the temperatureand orientation-dependence of the yield stress of body-centered cubic (BCC) metals in the thermallyactivated regime where plasticity is governed…
Rigidity regulates the integrity and function of many physical and biological systems. This is the first of two papers on the origin of rigidity, wherein we propose that "energetic rigidity," in which all non-trivial deformations raise the…
We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the…
This contribution investigates the extension of the microplane formulation to the description of transversely isotropic materials such as shale rock, foams, unidirectional composites, and ceramics. Two possible approaches are considered: 1)…
Pull-in (or electro-mechanical) instability occurs when a drastic decrease in the thickness of a dielectric elastomer results in electrical breakdown, which limits the applications of dielectric devices. Here we derive the criteria for…
Statistical mechanics is an important tool for understanding polymer electroelasticity because the elasticity of polymers is primarily due to entropy. However, a common approach for the statistical mechanics of polymer chains, the Gaussian…
A new method for determining the onset voltage of electrospray thrusters is proposed, which specifically focuses on electrospray thrusters manufactured by laser drilling through flat plates. The novelty of this method is that it accounts…
It is stated in the main in essence new approach to mechanics of the stressed state of the solid body from statistically isotropic material and the homogeneous liquid dynamics. The approach essence is in the detected property of the…
The micromechanics of a variety of systems experiencing a structural arrest due to their high density could be unified by a thermodynamic framework governing their approach to 'jammed' configurations. The mechanism of supporting an applied…
This paper presents a comprehensive computational framework for investigating thermo-elastic fracture in transversely isotropic materials, where classical linear elasticity fails to predict physically realistic behavior near stress…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
In this work we continue the investigation of different approaches to conception and modeling of composite materials. The global method we focus on, is called 'stochastic homogenization'. In this approach, the classical deterministic…
For solving the longstanding materials science problem of correlating elastic properties of a solid material to the formation of cracks we present a new general concept. This concept is applied to the technologically most important cracks…
In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
A large electric field is typically present in anodic or passive oxide films. Stresses induced by such a large electric field are critical in understanding the breakdown mechanism of thin oxide films and improving their corrosion…
Electro-active materials are classified as electrostrictive and piezoelectric materials. They deform under the action of an external electric field. Piezoelectric material, as a special class of active materials, can produce an internal…
Many printed electronic applications require strain-independent electrical properties to ensure deformation-independent performance. Thus, developing printed, flexible devices using 2D and other nanomaterials will require an understanding…