Defects and Calcium Diffusion in Wollastonite by unknow
Author:unknow
Format: pdf
Tags: Wollastonite (CaSiO3) is an important mineral that is widely used in ceramics and polymer industries. Defect energetics, diffusion of Ca ions and a solution of dopants are studied using atomistic-scale simulation based on the classical pair potentials. The energetically favourable defect process is calculated to be the Ca-Si anti-site defect cluster in which both Ca and Si swap their atomic positions simultaneously. It is calculated that the Ca ion migrates in the ab plane with an activation energy of 1.59 eV, inferring its slow diffusion. Favourable isovalent dopants on the Ca and Si sites are Sr2+ and Ge4+, respectively. Subvalent doping by Al on the Si site is a favourable process to incorporate additional Ca in the form of interstitials in CaSiO3. This engineering strategy would increase the capacity of this material., wollastonite; defects; diffusion; atomistic simulation; mineral
Download
This site does not store any files on its server. We only index and link to content provided by other sites. Please contact the content providers to delete copyright contents if any and email us, we'll remove relevant links or contents immediately.
Antioxidants & Phytochemicals | Caffeine |
Cancer Prevention | Fiber |
Food Additives | Food Allergies |
Genetically Engineered Food | Macrobiotics |
Vitamins & Supplements |
Nutrition for Sport, Exercise, and Health by Spano Marie & Kruskall Laura & Thomas D. Travis(3259)
Nutrition for Sport, Exercise, and Health by Marie Spano & Laura Kruskall & D. Travis Thomas(3255)
The Sprouting Book by Ann Wigmore(3077)
Flavor Flours by Alice Medrich(2362)
Memory Rescue by Daniel G. Amen(1988)
Superfood Smoothie Bowls: Delicious, Satisfying, Protein-Packed Blends that Boost Energy and Burn Fat by Chace Daniella(1937)
The Bad Food Bible by Aaron Carroll(1906)
Dirty Genes by Ben Lynch(1878)
Genius Foods by Max Lugavere(1718)
The Main Street Vegan Academy Cookbook by Victoria Moran(1714)
The Poisoner's Handbook by Deborah Blum(1687)
Good Calories, Bad Calories by Gary Taubes(1675)
The I Quit Sugar Cookbook by Sarah Wilson(1650)
Core Performance Essentials by Mark Verstegen(1635)
Big Girls Do It Stronger by Jasinda Wilder(1593)
Memory Rescue: Supercharge Your Brain, Reverse Memory Loss, and Remember What Matters Most by Amen Dr. Daniel G(1585)
Android App Development by Franceschi Hervé J.;(1510)
Sugar Crush by Dr. Richard Jacoby(1479)
Dr. Colbert's Keto Zone Diet by Don Colbert(1336)