Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation

Twin Laws and Energy in Monoclinic Hydroxyapatite, Ca5(PO4)3(OH)

(2014) Dino Aquilano et al.   CRYSTAL GROWTH & DESIGN

Nanotwinned diamond with unprecedented hardness and stability

(2014) Quan Huang et al.   NATURE

Stress in titania nanoparticles: an atomistic study

(2014) Robert Darkins et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics simulation of albite twinning and pericline twinning in low albite

(2013) Bin Li et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Screening the Incorporation of Amino Acids into an Inorganic Crystalline Host: the Case of Calcite

(2012) Shirly Borukhin et al.   ADVANCED FUNCTIONAL MATERIALS

Plastic deformation mechanism in nanotwinned metals: An insight from molecular dynamics and mechanistic modeling

(2012) Ting Zhu et al.   SCRIPTA MATERIALIA

Deformation twinning and residual stress in calcite studied with synchrotron polychromatic X-ray microdiffraction

(2011) Kai Chen et al.   PHYSICS AND CHEMISTRY OF MINERALS

The effect of pressure on the elastic properties and seismic anisotropy of diopside and jadeite from atomic scale simulation

(2011) Andrew M. Walker   PHYSICS OF THE EARTH AND PLANETARY INTERIORS

Deformation twinning in nanocrystalline materials

(2011) Y.T. Zhu et al.   PROGRESS IN MATERIALS SCIENCE

Bio-Inspired Synthesis and Mechanical Properties of Calcite-Polymer Particle Composites

(2010) Yi-Yeoun Kim et al.   ADVANCED MATERIALS

(10.4), (01.8), (01.2), and (00.1) Twin Laws of Calcite (CaCO3): Equilibrium Geometry of the Twin Boundary Interfaces and Twinning Energy

(2010) Marco Bruno et al.   CRYSTAL GROWTH & DESIGN

Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface

(2010) Paolo Raiteri et al.   Journal of Physical Chemistry C

Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

(2010) Paolo Raiteri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Local stress calculation in simulations of multicomponent systems

(2009) Paulo S. Branicio et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Controlling Mineral Morphologies and Structures in Biological and Synthetic Systems

(2008) Fiona C. Meldrum et al.   CHEMICAL REVIEWS

Biomimetic CaCO3Mineralization using Designer Molecules and Interfaces

(2008) Nico A. J. M. Sommerdijk et al.   CHEMICAL REVIEWS