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Materias / palabras clave: synthesis of new solid materials, properties and potential applications of solids, mechanics of solids and deformation and mechanical failure of all solid materials, solid-state physics, reactions in and on solids, appli...

Materias / palabras clave: Thermal conduction; Materials science; Mechanics; Thermodynamics; Composite material; Physics

In this new edition of their classic work on Cellular Solids, the authors have brought the book completely up to date, including new work on processing of metallic and ceramic foams and on the mechanical, electrical and ...

Recent extensions of the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids are described. Furthermore the method for calculating semilocal pseudopotential mat...

Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients elimi...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTHE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.Irving LangmuirCite this: J. Am. Chem. Soc. 1916, 38, 11, 2221–2295Publication Date (Print):...

Abstract In the course of an investigation of the effect of surface scratches on the mechanical strength of solids, some general conclusions were reached which appear to have a direct bearing on the problem of rupture, f...

The term ``sensitized luminescence'' in crystalline phosphors refers to the phenomenon whereby an impurity (activator, or emitter) is enabled to luminesce upon the absorption of light in a different type of center (sensi...

Generalized gradient approximations (GGA's) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang have developed a GGA based on real-space c...

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Materias / palabras clave: Constant (computer programming); Computer science; Programming language

Materias / palabras clave: Range (aeronautics); Ion; Materials science; Physics; Composite material; Quantum mechanics

Materias / palabras clave: structures, solids, applied mechanics, composite materials; Technology: Engineering (General). Civil engineering (General): Mechanics of engineering. Applied mechanics; Science: Physics: Descriptive and experimental mech...

Materias / palabras clave: magnetism and solids, magnetic materials, magnetic resonance; Science: Physics: Electricity and magnetism

The method of dispersion correction as an add-on to standard Kohn-Sham density functional theory (DFT-D) has been refined regarding higher accuracy, broader range of applicability, and less empiricism. The main new ingre...

Since the first edition of this highly successful book the field saw many great developments both in experimental and theoretical studies of electrical properties of non-crystalline solids. It became necessary to rewrite...

Abstract A method for measuring the surface energy of solids and for resolving the surface energy into contributions from dispersion and dipole‐hydrogen bonding forces has been developed. It is based on the measurement...

Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in wh...

Hybrid density functionals are very successful in describing a wide range of molecular properties accurately. In large molecules and solids, however, calculating the exact (Hartree–Fock) exchange is computationally exp...

There is a deep and useful connection between statistical mechanics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and multivariate or combinatorial optimization (fi...

Capillarity. The Nature and Thermodynamics of Liquid Interfaces. Surface Films on Liquid Substrates. Electrical Aspects of Surface Chemistry. Long--Range Forces. Surfaces of Solids. Surfaces of Solids: Microscopy and Spe...

Abstract Gas adsorption is an important tool for the characterisation of porous solids and fine powders. Major advances in recent years have made it necessary to update the 1985 IUPAC manual on Reporting Physisorption Da...

A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape a...

Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs. We develop an approach to detect noncovale...