Continuum mechanics of nonideal crystals: Microscopic approach based on projection-operator formalism

F Miserez, S Ganguly, R Haussmann, M Fuchs - Physical Review E, 2022 - APS
We present a microscopic derivation of the laws of continuum mechanics of nonideal
ordered solids including dissipation, defect diffusion, and heat transport. The starting point is …

Finite-temperature first-principles calculations of Al〈 100〉 symmetric tilt grain-boundary energy

SR Nishitani - Philosophical Magazine, 2021 - Taylor & Francis
The energies of small-angle tilt grain-boundaries have been predicted using the Read–
Shockley model based on dislocation theory. However, experimentally observed energies …

[图书][B] Development of Machine Learning Inter-Atomic Potentials for Shape Memory Ceramics

OT Rettenmaier - 2022 - search.proquest.com
Abstract Shape Memory Ceramics (SMCs) are an emerging class of materials featuring
several properties of interest. First among these is the shape memory effect itself, enabling …

[PDF][PDF] Оценка способности двойниковой границы флюорита улавливать примеси редкоземельных элементов. Квантовохимическое моделирование.

ЕЮ Котелевская - cryst.geol.msu.ru
Академик ВС Урусов с соавторами в монографии «Геохимия твёрдого тела»(1997)
отмечали, что «пример кластеризации дефектов дают кристаллы флюорита CaF2 с …