On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy

We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dyna...

Full description

Saved in:
Bibliographic Details
Published in:JPhys Energy 2024-01, Vol.6 (1), p.11001
Main Authors: Phillips, Anthony E, Walker, Helen C
Format: Article
Language:English
Subjects:
barocalorics
Crystallography
disorder
Entropy
inelastic neutron scattering
Inelastic scattering
Neutron scattering
Phase transitions
Spectroscopy
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863
cites cdi_FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863
container_end_page
container_issue 1
container_start_page 11001
container_title JPhys Energy
container_volume 6
creator Phillips, Anthony E
Walker, Helen C
description We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.
doi_str_mv 10.1088/2515-7655/ad0d00
format article
fullrecord <record><control><sourceid>proquest_iop_j</sourceid><recordid>TN_cdi_iop_journals_10_1088_2515_7655_ad0d00</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><doaj_id>oai_doaj_org_article_da350c2c724f47919fc7d16f9b31c653</doaj_id><sourcerecordid>2893031384</sourcerecordid><originalsourceid>FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863</originalsourceid><addsrcrecordid>eNp9kc1rHDEMxYfSQkOae46GXlrabSR7POM5htCPQCCX5my8_tj1MrFd2xuY_77eTkl7KD3pIZ5-knhdd4nwCUGIK8qRb8aB8ytlwAC86M6eWy__0q-7i1IOAEAFH0aEs26-D-RdiPU9MTb7Jx92pO4tsaHmmBYSHdmqHLWaY_aapL0qltSsQvHVx1CIy_GR6LyUquY57rJK-4WoYEiwx4YIpCSrmyi64d50r5yai734Xc-7hy-fv99829zdf729ub7b6J7TuhGMggUYBDU4Dcw4FJq5yfRTU5xaR9HgMI1ci2nbc4HAzciZMSNunRIDO-9uV66J6iBT9o8qLzIqL381Yt5JlavXs5VGMQ6a6pH2rh8nnJweG9xNW4Z64Kyx3q6slOOPoy1VHuIxh3a-pGJiwJCJvrlgden2asnWPW9FkKeI5CkDecpArhG1kY_riI_pD_M_9g__sB-SDTbvFjlIlIAIgDIZx34CAhihNA</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2893031384</pqid></control><display><type>article</type><title>On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy</title><source>Publicly Available Content Database</source><creator>Phillips, Anthony E ; Walker, Helen C</creator><creatorcontrib>Phillips, Anthony E ; Walker, Helen C</creatorcontrib><description>We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.</description><identifier>ISSN: 2515-7655</identifier><identifier>EISSN: 2515-7655</identifier><identifier>DOI: 10.1088/2515-7655/ad0d00</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>barocalorics ; Crystallography ; disorder ; Entropy ; inelastic neutron scattering ; Inelastic scattering ; Neutron scattering ; Phase transitions ; Spectroscopy</subject><ispartof>JPhys Energy, 2024-01, Vol.6 (1), p.11001</ispartof><rights>2023 The Author(s). Published by IOP Publishing Ltd</rights><rights>2023 The Author(s). Published by IOP Publishing Ltd. This work is published under http://creativecommons.org/licenses/by/4.0 (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863</citedby><cites>FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863</cites><orcidid>0000-0003-4225-0158 ; 0000-0002-7859-5388</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.proquest.com/docview/2893031384?pq-origsite=primo$$EHTML$$P50$$Gproquest$$Hfree_for_read</linktohtml><link.rule.ids>314,780,784,25753,27924,27925,37012,44590</link.rule.ids></links><search><creatorcontrib>Phillips, Anthony E</creatorcontrib><creatorcontrib>Walker, Helen C</creatorcontrib><title>On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy</title><title>JPhys Energy</title><addtitle>JPhysEnergy</addtitle><addtitle>J. Phys. Energy</addtitle><description>We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.</description><subject>barocalorics</subject><subject>Crystallography</subject><subject>disorder</subject><subject>Entropy</subject><subject>inelastic neutron scattering</subject><subject>Inelastic scattering</subject><subject>Neutron scattering</subject><subject>Phase transitions</subject><subject>Spectroscopy</subject><issn>2515-7655</issn><issn>2515-7655</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>PIMPY</sourceid><sourceid>DOA</sourceid><recordid>eNp9kc1rHDEMxYfSQkOae46GXlrabSR7POM5htCPQCCX5my8_tj1MrFd2xuY_77eTkl7KD3pIZ5-knhdd4nwCUGIK8qRb8aB8ytlwAC86M6eWy__0q-7i1IOAEAFH0aEs26-D-RdiPU9MTb7Jx92pO4tsaHmmBYSHdmqHLWaY_aapL0qltSsQvHVx1CIy_GR6LyUquY57rJK-4WoYEiwx4YIpCSrmyi64d50r5yai734Xc-7hy-fv99829zdf729ub7b6J7TuhGMggUYBDU4Dcw4FJq5yfRTU5xaR9HgMI1ci2nbc4HAzciZMSNunRIDO-9uV66J6iBT9o8qLzIqL381Yt5JlavXs5VGMQ6a6pH2rh8nnJweG9xNW4Z64Kyx3q6slOOPoy1VHuIxh3a-pGJiwJCJvrlgden2asnWPW9FkKeI5CkDecpArhG1kY_riI_pD_M_9g__sB-SDTbvFjlIlIAIgDIZx34CAhihNA</recordid><startdate>20240101</startdate><enddate>20240101</enddate><creator>Phillips, Anthony E</creator><creator>Walker, Helen C</creator><general>IOP Publishing</general><scope>O3W</scope><scope>TSCCA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7SP</scope><scope>7U5</scope><scope>7XB</scope><scope>88I</scope><scope>8FD</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>L7M</scope><scope>M2P</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>Q9U</scope><scope>DOA</scope><orcidid>https://orcid.org/0000-0003-4225-0158</orcidid><orcidid>https://orcid.org/0000-0002-7859-5388</orcidid></search><sort><creationdate>20240101</creationdate><title>On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy</title><author>Phillips, Anthony E ; Walker, Helen C</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>barocalorics</topic><topic>Crystallography</topic><topic>disorder</topic><topic>Entropy</topic><topic>inelastic neutron scattering</topic><topic>Inelastic scattering</topic><topic>Neutron scattering</topic><topic>Phase transitions</topic><topic>Spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Phillips, Anthony E</creatorcontrib><creatorcontrib>Walker, Helen C</creatorcontrib><collection>IOP_英国物理学会OA刊</collection><collection>IOPscience (Open Access)</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Electronics &amp; Communications Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Science Database (Alumni Edition)</collection><collection>Technology Research Database</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central</collection><collection>ProQuest Central Essentials</collection><collection>AUTh Library subscriptions: ProQuest Central</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>ProQuest Science Journals</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>ProQuest Central Basic</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>JPhys Energy</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Phillips, Anthony E</au><au>Walker, Helen C</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy</atitle><jtitle>JPhys Energy</jtitle><stitle>JPhysEnergy</stitle><addtitle>J. Phys. Energy</addtitle><date>2024-01-01</date><risdate>2024</risdate><volume>6</volume><issue>1</issue><spage>11001</spage><pages>11001-</pages><issn>2515-7655</issn><eissn>2515-7655</eissn><abstract>We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.</abstract><cop>Bristol</cop><pub>IOP Publishing</pub><doi>10.1088/2515-7655/ad0d00</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0003-4225-0158</orcidid><orcidid>https://orcid.org/0000-0002-7859-5388</orcidid><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 2515-7655
ispartof JPhys Energy, 2024-01, Vol.6 (1), p.11001
issn 2515-7655
2515-7655
language eng
recordid cdi_iop_journals_10_1088_2515_7655_ad0d00
source Publicly Available Content Database
subjects barocalorics
Crystallography
disorder
Entropy
inelastic neutron scattering
Inelastic scattering
Neutron scattering
Phase transitions
Spectroscopy
title On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-26T10%3A27%3A53IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_iop_j&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=On%20(not)%20deriving%20the%20entropy%20of%20barocaloric%20phase%20transitions%20from%20crystallography%20and%20neutron%20spectroscopy&rft.jtitle=JPhys%20Energy&rft.au=Phillips,%20Anthony%20E&rft.date=2024-01-01&rft.volume=6&rft.issue=1&rft.spage=11001&rft.pages=11001-&rft.issn=2515-7655&rft.eissn=2515-7655&rft_id=info:doi/10.1088/2515-7655/ad0d00&rft_dat=%3Cproquest_iop_j%3E2893031384%3C/proquest_iop_j%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c452t-8320e00682d1963df18c3f9d49f1852ef21d16975c89b458105d753dd71bfa863%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2893031384&rft_id=info:pmid/&rfr_iscdi=true