Results 221 to 230 of about 174,596,124 (262)

First-Principles Statistical Mechanics of Multicomponent Crystals

open access: yesAnnual Review of Materials Research, 2018
The importance of configurational, vibrational, and electronic excitations in crystalline solids of technological interest makes a rigorous treatment of thermal excitations an essential ingredient in first-principles models of materials behavior. This contribution reviews statistical mechanics approaches that connect a crystal's electronic structure to
Brian Puchala, A van der Ven
exaly   +4 more sources

Statistical Mechanics of Anharmonic Crystals

physica status solidi (b), 1984
AbstractA system of coupled anharmonic oscillators with fluctuations of the crystallographic lattice is considered. The anharmonicity is included as an effective field in the form of pseudoharmonic interactions. The description of the motion far from a Brownian particle embedded in the heat bath shows that the fluctuations lead to an explanation of the
B. Gaveau, J. Lawrynowicz, L. Wojtczak
openaire   +1 more source

Statistical Mechanics of the Dislocation System in a Crystal

Journal of the Physical Society of Japan, 1988
The statistical mechanics of the assembly of the dislocation lines in a three dimensional crystal is developed. Using the transfer matrix method, the statistical mechanics of the dislocations is transformed into the ground state problem of the two dimensional Fermion-Boson system.
Takao Yamamoto, Takeo Izuyama
openaire   +1 more source

The statistical mechanics of imperfect molecular crystals

Solid State Communications, 1969
Abstract Equations are developed for the calculation of thermodynamic functions of imperfect molecular crystals containing one species of point defect on a cubic lattice, following a method proposed by Mayer[7]. The treatment of vibrations requires essentially only the techniques applicable to a perfect crystal, requires no static relaxation ...
A.R. Allnatt, L.A. Rowley
openaire   +1 more source

Statistical Mechanics of a Crystal Surface

1994
The paper is an extension of our previous article (1984) on statistical mechanics of anharmonic crystals where we dealt with the pseudoharmonic approach in the case of infinite crystals. The extension consists in the formulation which enables us to describe the properties of the surface. We consider the adsorbed atoms which are randomly situated in the
Bernard Gaveau   +2 more
openaire   +1 more source

Statistical Mechanics of Freely Fluctuating Two-Dimensional Elastic Crystals

Journal of Statistical Physics, 2020
The paper is dedicated to Joel Lebowitz and recalls his personal and scientific encounters with Y. Sinai, common scientific interests and joint publications. Although no original new results are presented, some known theory concerning the statistical physics of freely fluctuating two-dimensional crystals subject to a non-linear elastic Hamiltonian is ...
M. E. H. Bahri, Y. Sinai
openaire   +1 more source

Statistical mechanics approach to the structure determination of a crystal

Acta Crystallographica Section A Foundations of Crystallography, 1985
The previously formulated new approach to the structure analysis of a crystal based on the profound analogy between the problem of determination of thermodynamic equilibrium in statistical mechanics and the optimization problem for a function of many variables [Khachaturyan, Semenovskaya & Vainshtein (1979). Soy. Phys. Crystallogr. 24, 519-524; (1981).
S. V. Semenovskaya   +2 more
openaire   +1 more source

Home - About - Disclaimer - Privacy