Publications de Sandra Caroline Galmarini

Beyond Unpredictability: The Importance of Reproducibility in Understanding the Protein Corona of Nanoparticles

Heinrich Hofmann, Diego Chiappe, Lionel André Maurizi, Sandra Caroline Galmarini, Nadia Rachel Von Moos, Noëlie Cayla

While it is well established that the surface of a nanoparticle plays a pivotal role for the protein corona, the vast number of proteins present in biological media render general conclusions about affinities between nanoparticle surfaces and proteins nont ...

AMER CHEMICAL SOC2018

An atomistic building block description of C-S-H - Towards a realistic C-S-H model

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed

Pergamon-Elsevier Science Ltd2018

cemff: A force field database for cementitious materials including validations, applications and opportunities

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed, David Geissbühler

This paper reviews atomistic force field parameterizations for molecular simulations of cementitious minerals, such as tricalcium silicate (C3S), portlandite (CH), tobermorites (model C-S-H). Computational techniques applied to these materials include clas ...

Pergamon-Elsevier Science Ltd2017

Atomistic Simulations of Silicate Species Interaction with Portlandite Surfaces

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed

Portlandite (Ca(OH)(2), CH) is the second most abundant hydrate formed in the reaction of Portland cement with water, making it an important component in the built environment. Formation of CH is closely linked to the growth of the main hydrate phase, calc ...

American Chemical Society2016

Changes in portlandite morphology with solvent composition: Atomistic simulations and experiment (vol 41, pg 1330, 2011)

Paul Bowen, Sandra Caroline Galmarini, Nicolas Ruffray

Pergamon-Elsevier Science Ltd2014

Aqueous stabilisation of carbon-encapsulated superparamagnetic alpha-iron nanoparticles for biomedical applications

Heinrich Hofmann, Sandra Caroline Galmarini, Marie-Gabrielle Chantal Brigitte Ollivier Beuzelin, Lionel André Maurizi, Géraldine Sylvie Coullerez

Carbon-based nanomaterials, such as carbon-encapsulated magnetic nanoparticles (CEMNP, core@shell), show a wide range of desirable properties for applications in the biomedical field (clinical MRI, hyperthermia), for energy production and storage (hydrogen ...

Royal Society of Chemistry2014

Atomistic Simulation of Cementitious Systems

Sandra Caroline Galmarini

EPFL2013

Atomistic modeling of dopant segregation in alpha-alumina ceramics: Coverage dependent energy of segregation and nominal dopant solubility

Paul Bowen, Ulrich Aschauer, Sandra Caroline Galmarini, Abhishek Tewari, Yann Aman

Microstructural control is a key aspect in producing ceramics with tailored properties and is often achieved by using dopants in a rather empirical fashion. Atomic scale simulations could provide much needed insight but the long-standing challenge of linki ...

2011

Atomistic Simulation of Y-Doped alpha-Alumina Interfaces

Paul Bowen, Ulrich Aschauer, Sandra Caroline Galmarini

The exact mechanism of creep resistance enhancement due to yttrium (Y) doping in a-alumina is still subject to speculation, although it is known that dopants segregate strongly to grain boundaries. The current work applies atomistic simulation techniques t ...

2008

Grain Growth in Doped Oxide Ceramics: From Nanosizes Powders and Atomistic Simulations to Tailored Interfaces

Paul Bowen, Ulrich Aschauer, Sandra Caroline Galmarini

Swansea Materials Research Centre2006