相关论文: Theory for structure and bulk-modulus determinatio…

Intermetallics, which encompass a wide range of compounds, often exhibit similar or closely related crystal structures, resulting in various intermetallic systems with structurally derivative phases. This study examines the hypothesis that…

This paper presents a modified grand canonical ensemble which provides a new simple and efficient scheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalism is implemented to investigate the exact…

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)…

In this paper, based on the effective intermolecular potential with well separated density and configuration contributions and the definition of the isothermal bulk modulus, we derive two similar equations of state dedicated to describe…

We present a list of ``local'' axioms and an explicit combinatorial construction for the regular $B_2$-crystals (crystal graphs of highest weight integrable modules over $U_q(sp_4)$). Also a new combinatorial model for these crystals is…

Precipitation of fine particles into the base material of a metal is a potent strengthening mechanism. This is numerically analyzed within a continuum framework based on a higher order strain gradient plasticity theory and by use of an…

The development of a nonlinear structural theory (model) for isotropic linear-elastic finite continua is the main objective of the study. To derive the theory, we used Taylor's multivariable expansion and Bubnov-Galerkin's weak formulation.…

Foams made of complex fluids such as particle suspensions have a great potential for the development of advanced aerated materials. In this paper we study the rheological behavior of liquid foams loaded with granular suspensions. We focus…

We report the bulk and surface properties of lithium computed within a full potential LCGTO formalism using both density functional theory and the Hartree-Fock approximation. We examine the convergence of computed properties with respect to…

On the basis of the extended classical elasticity theory, we propose universal semi-empirical analytical expressions for the energy and the equation of state for poly-crystalline solids. The validation of the relations has been made by…

The physics of foams and emulsions has traditionally been studied using bulk foam/emulsion tests and single film platforms such as the Scheludko cell. Recently there has been a renewed interest in a third class of techniques that we term as…

Hard spheres are a central and important model reference system for both homogeneous and inhomogeneous fluid systems. In this paper we present new high-precision molecular-dynamics computer simulations for a hard sphere fluid at a planar…

In this work, we review and analyze both the theoretical and numerical aspects of strongly and weakly coupled thermoelastic systems. By employing spectral analysis techniques and establishing uniform resolvent estimates, we derive uniform…

The detailed investigation of electronic and magnetic properties of polymeric coordination materials with accurate ab initio quantum mechanical methods is often computationally extremely demanding because of the large number of atoms in the…

In this paper we formulate the theory of nonlinear elasticity in a geometrically intrinsic manner using exterior calculus and bundle-valued differential forms. We represent kinematics variables, such as velocity and rate-of-strain, as…

Parameter estimation procedures provide valuable guidance in the understanding and improvement of organic solar cells and other devices. They often rely on one-dimensional models, but in the case of bulk-heterojunction (BHJ) designs, it is…

Prediction of stable crystal structures at given pressure-temperature conditions, based only on the knowledge of the chemical composition, is a central problem of condensed matter physics. This extremely challenging problem is often termed…

Micro-structured materials consisting of an array of microstructures are engineered to provide the specific material properties. This present work investigates the design of cellular materials under the framework of level set, so as to…

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

Heterogeneities in the cell membrane due to coexisting lipid phases have been conjectured to play a major functional role in cell signaling and membrane trafficking. Thereby the material properties of multiphase systems, such as the line…