PMID: 11308829Apr 20, 2001Paper

Thermodynamic and structural aspects of the potential energy surface of simulated water

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
F W StarrF Sciortino

Abstract

Relations between the thermodynamics and dynamics of supercooled liquids approaching a glass transition is a topic of considerable interest. The potential energy surface of model liquids has been increasingly studied, since it provides a connection between the configurational component of the partition function on the one hand, and the system dynamics on the other. This connection is most obvious at low temperatures, where the motion of the system can be partitioned into vibrations within a basin of attraction and infrequent interbasin transitions. In this work, we present a description of the potential energy surface properties of supercooled liquid water. The dynamics of this model have been studied in great detail in recent years. We locate the minima sampled by the liquid by "quenches" from equilibrium configurations generated via molecular dynamics simulations, and then calculate the temperature and density dependence of the basin energy, degeneracy, and shape. The temperature dependence of the energy of the minima is qualitatively similar to simple liquids, but has anomalous density dependence. The unusual density dependence is also reflected in the configurational entropy, the thermodynamic measure of degeneracy. Finally...Continue Reading

References

Apr 1, 1993·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·F H Stillinger, T Head-Gordon
Dec 1, 1996·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·F SciortinoS Chen
May 30, 1988·Physical Review Letters·H Jónsson, H C Andersen
Apr 8, 1996·Physical Review Letters·P GalloS Chen
Feb 5, 2000·Nature·R Bergman, J Swenson
Jul 26, 2000·Nature·A ScalaH E Stanley
Oct 4, 2000·Physical Review Letters·B ColuzziP Verrocchio
Jan 4, 2001·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·A ScalaF Sciortino
Nov 15, 1987·The Journal of Chemical Physics·A PohorilleR D MacElroy
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·F W StarrH E Stanley
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·L FabbianC Theis
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·S Büchner, A Heuer
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·F W StarrH E Stanley
Sep 7, 1984·Science·F H Stillinger, T A Weber
Jan 1, 1997·Journal of Research of the National Institute of Standards and Technology·C A Angell

❮ Previous
Next ❯

Citations

Sep 23, 2003·Biophysical Chemistry·Francis W StarrH Eugene Stanley
Aug 4, 2007·The Journal of Chemical Physics·Florent CalvoDavid J Wales
Feb 8, 2006·The Journal of Chemical Physics·Tetyana V BogdanFlorent Calvo
Mar 17, 2007·The Journal of Chemical Physics·Dmitry V Matyushov, C Austen Angell
Apr 17, 2008·The Journal of Chemical Physics·Vitaliy KapkoC Austen Angell
May 6, 2006·The Journal of Chemical Physics·Ivan Brovchenko, Alla Oleinikova
Feb 12, 2015·The Journal of Chemical Physics·Shiladitya SenguptaSrikanth Sastry
Jun 2, 2014·The Journal of Chemical Physics·Beatriz A Pazmiño BetancourtFrancis W Starr
Dec 22, 2014·The Journal of Chemical Physics·Jacek DudowiczKarl F Freed
Jul 28, 2016·The Journal of Chemical Physics·Atreyee BanerjeeSarika Maitra Bhattacharyya
Jul 23, 2004·The Journal of Chemical Physics·G RuoccoT Scopigno
Nov 10, 2015·The Journal of Chemical Physics·Manoj Kumar NandiSarika Maitra Bhattacharyya
Jul 23, 2004·The Journal of Chemical Physics·E La NaveP Tartaglia
Dec 12, 2001·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Y GebremichaelS C Glotzer
May 15, 2002·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·S MossaP Tartaglia
Oct 9, 2002·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Lucia ComezWerner Steffen
Aug 6, 2018·The European Physical Journal. E, Soft Matter·Anshul D S ParmarSrikanth Sastry
Jan 25, 2005·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·H Eugene StanleyFrancis W Starr
Jan 25, 2005·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·C Austen Angell
Dec 31, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Pradeep KumarH Eugene Stanley
Jul 23, 2008·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Andreas Heuer, Aimorn Saksaengwijit
Sep 17, 2008·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Andreas Heuer
Dec 18, 2016·The Journal of Chemical Physics·Nicolas GiovambattistaPeter H Poole
Nov 16, 2016·Physical Biology·Neda Dadashvand, Christina M Othon
Dec 14, 2016·Proceedings of the National Academy of Sciences of the United States of America·Yuntao XuGreg A Kimmel
Oct 3, 2001·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·E La NaveF Sciortino
Aug 11, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Nicolas GiovambattistaFrancis W Starr
Oct 4, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·A HeuerA Saksaengwijit
Nov 13, 2003·Physical Review Letters·Francesco SciortinoPiero Tartaglia
Nov 13, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Giulia De Lorenzi-Venneri, Duane C Wallace
Jun 1, 2004·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Ivan Saika-VoivodPeter H Poole
Oct 4, 2003·Physical Review Letters·Nicolas GiovambattistaFrancesco Sciortino
May 15, 2002·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Nicolas GiovambattistaH Eugene Stanley
Apr 15, 2004·Chemical Reviews·Erik T J Nibbering, Thomas Elsaesser
Sep 28, 2017·Chemical Reviews·Emiliano BriniKen A Dill
Jul 21, 2006·The Journal of Physical Chemistry. B·Yeshitila GebremichaelSharon C Glotzer

❮ 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.

Related Papers

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Gerald PaulH E Stanley
The Journal of Physical Chemistry. B
Yeshitila GebremichaelSharon C Glotzer
Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
F W StarrH E Stanley
© 2021 Meta ULC. All rights reserved