Nanosolids, slushes, and nanoliquids: characterization of nanophases in metal clusters and nanoparticles

Journal of the American Chemical Society
Zhen Hua Li, Donald G Truhlar

Abstract

One of the keys to understanding the emergent behavior of complex materials and nanoparticles is understanding their phases. Understanding the phases of nanomaterials involves new concepts not present in bulk materials; for example, the phases of nanoparticles are quantum mechanical even when no hydrogen or helium is present. To understand these phases better, molecular dynamics (MD) simulations on size-selected particles employing a realistic analytic many-body potential based on quantum mechanical nanoparticle calculations have been performed to study the temperature-dependent properties and melting transitions of free Al n clusters and nanoparticles with n = 10-300 from 200 to 1700 K. By analyzing properties of the particles such as specific heat capacity (c), radius of gyration, volume, coefficient of thermal expansion (beta), and isothermal compressibility (kappa), we developed operational definitions of the solid, slush, and liquid states of metal clusters and nanoparticles. Applying the definitions, which are based on the temperature dependences of c, beta, and ln kappa, we determined the temperature domains of the solid, slush, and liquid states of the Al n particles. The results show that Al n clusters ( n <or= 18, dia...Continue Reading

References

Oct 15, 1994·Physical Review. B, Condensed Matter·F H Streitz, J W Mintmire
May 1, 1991·Physical Review. B, Condensed Matter·H ChengR L Whetten
Sep 15, 1993·Physical Review. B, Condensed Matter·C ReyM P Iñiguez
Sep 11, 1989·Physical Review Letters·R S Berry, D J Wales
Dec 25, 1989·Physical Review Letters· de Heer WAA Chtelain
Jul 8, 1991·Physical Review Letters·R O Jones
May 4, 1992·Physical Review Letters·J LerméM Broyer
Nov 21, 1994·Physical Review Letters·D J Wales, R S Berry
Oct 13, 2000·Physical Review Letters·M Y EfremovL H Allen
May 1, 2001·Physical Review Letters·J P Doye, F Calvo
Nov 3, 2001·Physical Review Letters·M SchmidtP Labastie
Oct 9, 2002·Angewandte Chemie·Andreas Schnepf, Hansgeorg Schnöckel
Dec 6, 2002·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Lesley D LloydThomas V Mortimer-Jones
Apr 12, 2003·Physical Review Letters·M SchmidtH Haberland
Dec 20, 2003·Physical Review Letters·Gary A BreauxMartin F Jarrold
Apr 3, 2004·Science·Denis E BergeronShiv N Khanna
Apr 20, 2004·Physical Review Letters·S PochonN I Zheludev
Jul 15, 2004·Journal of the American Chemical Society·Gary A BreauxMartin F Jarrold
Aug 31, 2004·The Journal of Chemical Physics·K Vollmayr-Lee
Sep 28, 2004·Physical Review Letters·G RossiR Ferrando
Nov 20, 2004·The Journal of Chemical Physics·D E BergeronS N Khanna
Sep 24, 2005·The Journal of Chemical Physics·D Schebarchov, S C Hendy
Jan 21, 2006·The Journal of Chemical Physics·Mingli YangJulius Jellinek
Jan 27, 2006·The Journal of Physical Chemistry. a·Saman Alavi, Donald L Thompson
Mar 30, 2006·Journal of the American Chemical Society·Divesh BhattDonald G Truhlar
May 23, 2006·Physical Review Letters·Kavita JoshiD G Kanhere
Jun 23, 2006·Chemical Society Reviews·Emil Roduner
Jul 21, 2006·The Journal of Physical Chemistry. B·Ahren W JasperDonald G Truhlar
Jul 21, 2006·The Journal of Physical Chemistry. B·Gary A BreauxMartin F Jarrold
Oct 3, 2006·Journal of the American Society for Mass Spectrometry·Colleen M NealMartin F Jarrold
Oct 13, 2006·Chemical Reviews·Kazuo WatanabeHans-Joachim Freund
Dec 22, 2006·The Journal of Physical Chemistry. B·Divesh BhattDonald G Truhlar
Feb 17, 2007·The Journal of Chemical Physics·Douglas Poland
Jul 7, 2007·Angewandte Chemie·Dmitrii F Perepichka, Federico Rosei
Nov 13, 2007·Journal of the American Chemical Society·Zhen Hua LiDonald G Truhlar

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Citations

Dec 15, 2010·Journal of the American Chemical Society·Joongoo KangYong-Hyun Kim
Mar 29, 2012·Journal of the American Chemical Society·Jessica C Johnston, Valeria Molinero
Mar 1, 2012·The Journal of Chemical Physics·Satya Bulusu, René Fournier
Oct 10, 2009·The Journal of Chemical Physics·Steven L GirshickDonald G Truhlar
Dec 7, 2010·Annual Review of Physical Chemistry·Andrés Aguado, Martin F Jarrold
Jun 30, 2016·Accounts of Chemical Research·Weihong Qi
Jun 15, 2016·Physical Chemistry Chemical Physics : PCCP·Rao HuangShi-Gang Sun
Dec 19, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Francesca Baletto
Jul 2, 2018·The Journal of Chemical Physics·Claudio ZeniAlessandro De Vita
Jan 7, 2021·Nanoscale·Laia Delgado-CallicoFrancesca Baletto
Jan 30, 2015·The Journal of Physical Chemistry. a·Boris I LoukhovitskiAlexander M Starik
Feb 5, 2011·Journal of the American Chemical Society·Yingteng ZhaiXin-Gao Gong

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