PMID: 15244985Jul 13, 2004Paper

Nucleation and growth in pressure-induced phase transitions from molecular dynamics simulations: mechanism of the reconstructive transformation of NaCl to the CsCl-type structure

Physical Review Letters
Dirk Zahn, S Leoni

Abstract

We perform path sampling molecular dynamics on the pressure-induced reconstructive phase transition from NaCl to CsCl type structure. Unlike the molecular dynamics simulations prior to this work our approach does not drive the process by applying elevated pressure. As a consequence, we are able to observe nucleation events that initiate the successive transformation of the crystal. The competing phases are separated by an interface exhibiting a well-defined structure that propagates through the crystal during phase transition.

References

Jun 1, 1996·Journal of Molecular Graphics·W Smith, T R Forester
Jul 1, 1987·Physical Review. B, Condensed Matter·X Li, R Jeanloz
Nov 1, 1992·Physical Review. B, Condensed Matter·Y A Nga, C K Ong
Feb 1, 1994·Physical Review. B, Condensed Matter·A M PendásL N Kantorovich
Jun 14, 2000·Acta Crystallographica. Section A, Foundations of Crystallography·H Sowa

❮ Previous
Next ❯

Citations

Dec 5, 2008·Proceedings of the National Academy of Sciences of the United States of America·Stefano LeoniUlrich Schwarz
Jun 6, 2008·The Journal of Chemical Physics·Dirk Zahn
Jan 21, 2014·The Journal of Chemical Physics·D BochicchioR Ferrando
Aug 26, 2014·The Journal of Chemical Physics·Michael A Bellucci, Bernhardt L Trout
Jun 30, 2012·Scientific Reports·Salah Eddine BoulfelfelStefano Leoni
Sep 15, 2014·Nature Materials·Yi PengYilong Han
Jul 25, 2018·Faraday Discussions·Samuel Alexander JobbinsStefano Leoni
Sep 23, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·S V StreltsovV V Shchennikov
Jan 24, 2013·Journal of Physics. Condensed Matter : an Institute of Physics Journal·X ZhouS V Khare
Apr 16, 2011·Angewandte Chemie·Klaus Doll, Martin Jansen
Dec 17, 2004·Physical Review Letters·Dirk Zahn
Oct 13, 2007·Physical Review Letters·S E BoulfelfelS Leoni
Aug 11, 2005·Physical Review Letters·Daniele MoroniPeter G Bolhuis
Sep 29, 2006·The Journal of Physical Chemistry. B·Dirk Zahn
Nov 23, 2010·The Journal of Physical Chemistry. B·Marek PaściakStefano Leoni
Dec 11, 2013·Journal of the American Chemical Society·Xujie LüYusheng Zhao
Jul 27, 2011·The Journal of Physical Chemistry. B·Manas ShahBernhardt L Trout

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.