The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality

The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids' quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a de...

Full description

Saved in:
Bibliographic Details
Published in:arXiv.org 2018-07
Main Authors: Andreas Kvist Bacher, Schrøder, Thomas B, Dyre, Jeppe C
Format: Article
Language:English
Subjects:
Distribution functions
Dynamic structural analysis
Isotherms
Liquid phases
Radial distribution
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites
container_end_page
container_issue
container_start_page
container_title arXiv.org
container_volume
creator Andreas Kvist Bacher
Schrøder, Thomas B
Dyre, Jeppe C
description The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids' quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a detailed simulation study of the EXP system. Here we study how structure monitored via the radial distribution function and dynamics monitored via the mean-square displacement as a function of time evolve along the system's isotherms and isochores. The focus is on the gas and liquid phases, which are distinguished pragmatically by the absence or presence of a minimum in the radial distribution function above its first maximum. An NVU-based proof of quasiuniversality is presented, and quasiuniversality is illustrated by showing that the structure of the Lennard-Jones system at four selected state points is well approximated by those of EXP pair-potential systems with the same reduced diffusion constant. The companion paper studies the EXP system's isomorphs, focusing also on the gas and liquid phases.
doi_str_mv 10.48550/arxiv.1807.10959
format article
fullrecord <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_journals_2092763773</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2092763773</sourcerecordid><originalsourceid>FETCH-LOGICAL-a523-f1c2fc796ac91e4fbd069f53e6297eb97b305571fc1f9831338fa03b1906c41d3</originalsourceid><addsrcrecordid>eNotjUFLwzAYQIMgOOZ-gLeAV1u_5GuS5ihj08FADzvoaaRpQjO6tkva4f69Ez29d3qPkAcGeVEKAc8mfodzzkpQOQMt9A2ZcUSWlQXnd2SR0gEAuFRcCJyRr13j6Orzgw4mxGzoR9eNwbQ0XdLojjnd5HTdTqGmQ2OSoyH1Y-PiMT39qm366K5qupqeJpPC1IWzi8m0Ybzck1tv2uQW_5yT3Xq1W75l2_fXzfJlmxnBMfPMcm-VlsZq5gpf1SC1F-gk18pVWlUIQijmLfO6RIZYegNYMQ3SFqzGOXn8yw6xP00ujftDP8Xuetxz0FxJVArxBw93U2o</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2092763773</pqid></control><display><type>article</type><title>The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality</title><source>Publicly Available Content Database</source><creator>Andreas Kvist Bacher ; Schrøder, Thomas B ; Dyre, Jeppe C</creator><creatorcontrib>Andreas Kvist Bacher ; Schrøder, Thomas B ; Dyre, Jeppe C</creatorcontrib><description>The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids' quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a detailed simulation study of the EXP system. Here we study how structure monitored via the radial distribution function and dynamics monitored via the mean-square displacement as a function of time evolve along the system's isotherms and isochores. The focus is on the gas and liquid phases, which are distinguished pragmatically by the absence or presence of a minimum in the radial distribution function above its first maximum. An NVU-based proof of quasiuniversality is presented, and quasiuniversality is illustrated by showing that the structure of the Lennard-Jones system at four selected state points is well approximated by those of EXP pair-potential systems with the same reduced diffusion constant. The companion paper studies the EXP system's isomorphs, focusing also on the gas and liquid phases.</description><identifier>EISSN: 2331-8422</identifier><identifier>DOI: 10.48550/arxiv.1807.10959</identifier><language>eng</language><publisher>Ithaca: Cornell University Library, arXiv.org</publisher><subject>Distribution functions ; Dynamic structural analysis ; Isotherms ; Liquid phases ; Radial distribution</subject><ispartof>arXiv.org, 2018-07</ispartof><rights>2018. This work is published under http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.proquest.com/docview/2092763773?pq-origsite=primo$$EHTML$$P50$$Gproquest$$Hfree_for_read</linktohtml><link.rule.ids>780,784,25753,27925,37012,44590</link.rule.ids></links><search><creatorcontrib>Andreas Kvist Bacher</creatorcontrib><creatorcontrib>Schrøder, Thomas B</creatorcontrib><creatorcontrib>Dyre, Jeppe C</creatorcontrib><title>The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality</title><title>arXiv.org</title><description>The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids' quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a detailed simulation study of the EXP system. Here we study how structure monitored via the radial distribution function and dynamics monitored via the mean-square displacement as a function of time evolve along the system's isotherms and isochores. The focus is on the gas and liquid phases, which are distinguished pragmatically by the absence or presence of a minimum in the radial distribution function above its first maximum. An NVU-based proof of quasiuniversality is presented, and quasiuniversality is illustrated by showing that the structure of the Lennard-Jones system at four selected state points is well approximated by those of EXP pair-potential systems with the same reduced diffusion constant. The companion paper studies the EXP system's isomorphs, focusing also on the gas and liquid phases.</description><subject>Distribution functions</subject><subject>Dynamic structural analysis</subject><subject>Isotherms</subject><subject>Liquid phases</subject><subject>Radial distribution</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><sourceid>PIMPY</sourceid><recordid>eNotjUFLwzAYQIMgOOZ-gLeAV1u_5GuS5ihj08FADzvoaaRpQjO6tkva4f69Ez29d3qPkAcGeVEKAc8mfodzzkpQOQMt9A2ZcUSWlQXnd2SR0gEAuFRcCJyRr13j6Orzgw4mxGzoR9eNwbQ0XdLojjnd5HTdTqGmQ2OSoyH1Y-PiMT39qm366K5qupqeJpPC1IWzi8m0Ybzck1tv2uQW_5yT3Xq1W75l2_fXzfJlmxnBMfPMcm-VlsZq5gpf1SC1F-gk18pVWlUIQijmLfO6RIZYegNYMQ3SFqzGOXn8yw6xP00ujftDP8Xuetxz0FxJVArxBw93U2o</recordid><startdate>20180728</startdate><enddate>20180728</enddate><creator>Andreas Kvist Bacher</creator><creator>Schrøder, Thomas B</creator><creator>Dyre, Jeppe C</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope></search><sort><creationdate>20180728</creationdate><title>The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality</title><author>Andreas Kvist Bacher ; Schrøder, Thomas B ; Dyre, Jeppe C</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a523-f1c2fc796ac91e4fbd069f53e6297eb97b305571fc1f9831338fa03b1906c41d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Distribution functions</topic><topic>Dynamic structural analysis</topic><topic>Isotherms</topic><topic>Liquid phases</topic><topic>Radial distribution</topic><toplevel>online_resources</toplevel><creatorcontrib>Andreas Kvist Bacher</creatorcontrib><creatorcontrib>Schrøder, Thomas B</creatorcontrib><creatorcontrib>Dyre, Jeppe C</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science &amp; Engineering Collection</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><jtitle>arXiv.org</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Andreas Kvist Bacher</au><au>Schrøder, Thomas B</au><au>Dyre, Jeppe C</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality</atitle><jtitle>arXiv.org</jtitle><date>2018-07-28</date><risdate>2018</risdate><eissn>2331-8422</eissn><abstract>The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids' quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a detailed simulation study of the EXP system. Here we study how structure monitored via the radial distribution function and dynamics monitored via the mean-square displacement as a function of time evolve along the system's isotherms and isochores. The focus is on the gas and liquid phases, which are distinguished pragmatically by the absence or presence of a minimum in the radial distribution function above its first maximum. An NVU-based proof of quasiuniversality is presented, and quasiuniversality is illustrated by showing that the structure of the Lennard-Jones system at four selected state points is well approximated by those of EXP pair-potential systems with the same reduced diffusion constant. The companion paper studies the EXP system's isomorphs, focusing also on the gas and liquid phases.</abstract><cop>Ithaca</cop><pub>Cornell University Library, arXiv.org</pub><doi>10.48550/arxiv.1807.10959</doi><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier EISSN: 2331-8422
ispartof arXiv.org, 2018-07
issn 2331-8422
language eng
recordid cdi_proquest_journals_2092763773
source Publicly Available Content Database
subjects Distribution functions
Dynamic structural analysis
Isotherms
Liquid phases
Radial distribution
title The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-30T19%3A53%3A10IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=The%20EXP%20pair-potential%20system.%20I.%20Fluid%20phase%20isotherms,%20isochores,%20and%20quasiuniversality&rft.jtitle=arXiv.org&rft.au=Andreas%20Kvist%20Bacher&rft.date=2018-07-28&rft.eissn=2331-8422&rft_id=info:doi/10.48550/arxiv.1807.10959&rft_dat=%3Cproquest%3E2092763773%3C/proquest%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-a523-f1c2fc796ac91e4fbd069f53e6297eb97b305571fc1f9831338fa03b1906c41d3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2092763773&rft_id=info:pmid/&rfr_iscdi=true