Local energy landscape in a simple liquid

Iwashita, T.; Egami, Takeshi

doi:10.1103/PhysRevE.90.052307

Title: Local energy landscape in a simple liquid

Journal Article · Wed Nov 26 00:00:00 EST 2014 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

DOI:https://doi.org/10.1103/PhysRevE.90.052307· OSTI ID:1185336

Iwashita, T. ^[1]; Egami, Takeshi ^[2]

Univ. of Tennessee, Knoxville, TN (United States). Joint Inst. for Neutron Sciences and Dept. of Physics and Astronomy
Univ. of Tennessee, Knoxville, TN (United States). Joint Inst. for Neutron Sciences, Dept. of Physics and Astronomy, Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

It is difficult to relate the properties of liquids and glasses directly to their structure because of complexity in the structure that defies precise definition. The potential energy landscape (PEL) approach is a very insightful way to conceptualize the structure-property relationship in liquids and glasses, particularly the effect of temperature and history. However, because of the highly multidimensional nature of the PEL it is hard to determine, or even visualize, the actual details of the energy landscape. In this article we introduce a modified concept of the local energy landscape (LEL), which is limited in phase space, and demonstrate its usefulness using molecular dynamics simulation on a simple liquid at high temperatures. The local energy landscape is given as a function of the local coordination number, the number of the nearest-neighbor atoms. The excitation in the LEL corresponds to the so-called β-relaxation process. In this work, the LEL offers a simple but useful starting point to discuss complex phenomena in liquids and glasses.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1185336

Alternate ID(s):: OSTI ID: 1180215

Journal Information:: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, Vol. 90, Issue 5; ISSN 1539-3755

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 8 works

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References (25)

Cooling rate dependence of structural properties of aluminium during rapid solidification Liu, C. S.; Zhu, Z. G.; Xia, Junchao Journal of Physics: Condensed Matter, Vol. 13, Issue 9 https://doi.org/10.1088/0953-8984/13/9/311	journal	February 2001
Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid Sastry, Srikanth; Debenedetti, Pablo G.; Stillinger, Frank H. Nature, Vol. 393, Issue 6685 https://doi.org/10.1038/31189	journal	June 1998
Glass transition in metallic glasses: A microscopic model of topological fluctuations in the bonding network Egami, T.; Poon, S. J.; Zhang, Z. Physical Review B, Vol. 76, Issue 2 https://doi.org/10.1103/PhysRevB.76.024203	journal	July 2007
Dynamical Theory of Crystal Lattices Born, Max; Huang, Kun; Lax, M. American Journal of Physics, Vol. 23, Issue 7 https://doi.org/10.1119/1.1934059	journal	October 1955
Elementary Excitations in Classical Liquids Zwanzig, Robert Physical Review, Vol. 156, Issue 1 https://doi.org/10.1103/PhysRev.156.190	journal	April 1967
Full icosahedra dominate local order in Cu64Zr34 metallic glass and supercooled liquid Ding, Jun; Cheng, Yong-Qiang; Ma, Evan Acta Materialia, Vol. 69 https://doi.org/10.1016/j.actamat.2014.02.005	journal	May 2014
The Atomic Arrangement in Glass Zachariasen, W. H. Journal of the American Chemical Society, Vol. 54, Issue 10 https://doi.org/10.1021/ja01349a006	journal	October 1932
Equipartition theorem and the dynamics of liquids Levashov, V. A.; Egami, T.; Aga, R. S. Physical Review B, Vol. 78, Issue 6 https://doi.org/10.1103/PhysRevB.78.064205	journal	August 2008
Elementary Excitations and Crossover Phenomenon in Liquids Iwashita, T.; Nicholson, D. M.; Egami, T. Physical Review Letters, Vol. 110, Issue 20 https://doi.org/10.1103/PhysRevLett.110.205504	journal	May 2013
Theoretical perspective on the glass transition and amorphous materials Berthier, Ludovic; Biroli, Giulio Reviews of Modern Physics, Vol. 83, Issue 2 https://doi.org/10.1103/RevModPhys.83.587	journal	June 2011
Viscous Liquids and the Glass Transition: A Potential Energy Barrier Picture Goldstein, Martin The Journal of Chemical Physics, Vol. 51, Issue 9 https://doi.org/10.1063/1.1672587	journal	November 1969
The nature of the β -peak in the loss modulus of amorphous solids Cohen, Yossi; Karmakar, Smarajit; Procaccia, Itamar EPL (Europhysics Letters), Vol. 100, Issue 3 https://doi.org/10.1209/0295-5075/100/36003	journal	November 2012
Local structural fluctuations in amorphous and liquid metals: a simple theory of the glass transition Egami, T.; Srolovitz, D. Journal of Physics F: Metal Physics, Vol. 12, Issue 10 https://doi.org/10.1088/0305-4608/12/10/010	journal	October 1982
Icosahedral order and defects in metallic liquids and glasses Qi, D. W.; Wang, S. Physical Review B, Vol. 44, Issue 2 https://doi.org/10.1103/PhysRevB.44.884	journal	July 1991
Supercooled liquids and the glass transition Debenedetti, Pablo G.; Stillinger, Frank H. Nature, Vol. 410, Issue 6825 https://doi.org/10.1038/35065704	journal	March 2001
Hidden structure in liquids Stillinger, Frank H.; Weber, Thomas A. Physical Review A, Vol. 25, Issue 2 https://doi.org/10.1103/PhysRevA.25.978	journal	February 1982
Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid Schrøder, Thomas B.; Sastry, Srikanth; Dyre, Jeppe C. The Journal of Chemical Physics, Vol. 112, Issue 22 https://doi.org/10.1063/1.481621	journal	June 2000
Random Packings and the Structure of Simple Liquids. I. The Geometry of Random Close Packing Finney, J. L. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 319, Issue 1539 https://doi.org/10.1098/rspa.1970.0189	journal	November 1970
Stability of Supercooled Liquid and Transformation Behavior in Zr-Based Glassy Alloys Saida, Junji; Matsushita, Mitsuhide; Inoue, Akihisa MATERIALS TRANSACTIONS, Vol. 43, Issue 8 https://doi.org/10.2320/matertrans.43.1937	journal	January 2002
Exploring the potential energy landscape of glass-forming systems: from inherent structures via metabasins to macroscopic transport Heuer, Andreas Journal of Physics: Condensed Matter, Vol. 20, Issue 37 https://doi.org/10.1088/0953-8984/20/37/373101	journal	August 2008
Viscous Liquids and the Glass Transition. II. Secondary Relaxations in Glasses of Rigid Molecules Johari, Gyan P.; Goldstein, Martin The Journal of Chemical Physics, Vol. 53, Issue 6 https://doi.org/10.1063/1.1674335	journal	September 1970
Energy barriers and activated dynamics in a supercooled Lennard-Jones liquid Doliwa, B.; Heuer, A. Physical Review E, Vol. 67, Issue 3 https://doi.org/10.1103/PhysRevE.67.031506	journal	March 2003
Atomic-level structure and structure–property relationship in metallic glasses Cheng, Y. Q.; Ma, E. Progress in Materials Science, Vol. 56, Issue 4 https://doi.org/10.1016/j.pmatsci.2010.12.002	journal	May 2011
The determination of the elastic field of an ellipsoidal inclusion, and related problems Eshelby, John Douglas Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 241, Issue 1226, p. 376-396 https://doi.org/10.1098/rspa.1957.0133	journal	August 1957
Universal local strain in solid-state amorphization: The atomic size effect in binary alloys Guo, Wei; Iwashita, Takuya; Egami, Takeshi Acta Materialia, Vol. 68 https://doi.org/10.1016/j.actamat.2014.01.020	journal	April 2014