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How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family
A systematic study on a face-centered cubic-based compositionally complex alloy system Al–Co–Cr–Cu–Fe–Ni in its single-phase state is carried out, where a mother senary compound Al8Co17Cr17Cu8Fe17Ni33 and five of its suballoys, obtained by removing one element at a time, are investigated and exhaust...
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Published in: | Small science 2023-12, Vol.4 (2) |
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creator | Fantin, Andrea Lepore, Giovanni O. Widom, Michael Kasatikov, Sergey Manzoni, Anna M. |
description | A systematic study on a face-centered cubic-based compositionally complex alloy system Al–Co–Cr–Cu–Fe–Ni in its single-phase state is carried out, where a mother senary compound Al8Co17Cr17Cu8Fe17Ni33 and five of its suballoys, obtained by removing one element at a time, are investigated and exhaustively analyzed determining the contribution of each alloying element in the solid solution. The senary and the quinaries are compared using experimental techniques including X-ray absorption spectroscopy, X-ray diffraction, transmission electron microscopy, and first principles hybrid Monte Carlo/molecular dynamics simulations. Chemical short-range order and bond length distances have been determined both at the experimental and computational level. Electronic structure and local atomic distortions up to 5.2 Å have been correlated to the microhardness values. A linear regression model connecting hardness with local lattice distortions is presented. |
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National Energy Research Scientific Computing Center (NERSC)</creatorcontrib><title>How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family</title><title>Small science</title><description>A systematic study on a face-centered cubic-based compositionally complex alloy system Al–Co–Cr–Cu–Fe–Ni in its single-phase state is carried out, where a mother senary compound Al8Co17Cr17Cu8Fe17Ni33 and five of its suballoys, obtained by removing one element at a time, are investigated and exhaustively analyzed determining the contribution of each alloying element in the solid solution. The senary and the quinaries are compared using experimental techniques including X-ray absorption spectroscopy, X-ray diffraction, transmission electron microscopy, and first principles hybrid Monte Carlo/molecular dynamics simulations. Chemical short-range order and bond length distances have been determined both at the experimental and computational level. 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A linear regression model connecting hardness with local lattice distortions is presented.</description><subject>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</subject><subject>hardness</subject><subject>high entropy alloys</subject><subject>local lattice distortions</subject><subject>Monte Carlo molecular dynamics</subject><subject>short-range order</subject><issn>2688-4046</issn><issn>2688-4046</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNqNyr0KwjAUBeAgCor2HS7uhRjb2o5aLJ3Ewb2ENDZXaiJJVLr5Dr6hT-IPDo4u3zlwTo-MWJKmYUSjpP_ThyRw7kApZfFstsjYiMjSXGHpzREFrIyuUTewbXnnwCsJJbe1ls7BSip-QWMB9WdYto_bPTdv7Jvzi0K-2CCU2ChYa2_NqYOCH7HtJmSw562TwTfHZFqsd3kZGuexcgK9FEoYraXwFWPJIo6y-V-nJ-RwS44</recordid><startdate>20231207</startdate><enddate>20231207</enddate><creator>Fantin, Andrea</creator><creator>Lepore, Giovanni O.</creator><creator>Widom, Michael</creator><creator>Kasatikov, Sergey</creator><creator>Manzoni, Anna M.</creator><general>Wiley</general><scope>OIOZB</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000000181833546</orcidid></search><sort><creationdate>20231207</creationdate><title>How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family</title><author>Fantin, Andrea ; Lepore, Giovanni O. ; Widom, Michael ; Kasatikov, Sergey ; Manzoni, Anna M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-osti_scitechconnect_22675493</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>hardness</topic><topic>high entropy alloys</topic><topic>local lattice distortions</topic><topic>Monte Carlo molecular dynamics</topic><topic>short-range order</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Fantin, Andrea</creatorcontrib><creatorcontrib>Lepore, Giovanni O.</creatorcontrib><creatorcontrib>Widom, Michael</creatorcontrib><creatorcontrib>Kasatikov, Sergey</creatorcontrib><creatorcontrib>Manzoni, Anna M.</creatorcontrib><creatorcontrib>Carnegie Mellon Univ., Pittsburgh, PA (United States)</creatorcontrib><creatorcontrib>Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). 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subjects | CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY hardness high entropy alloys local lattice distortions Monte Carlo molecular dynamics short-range order |
title | How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family |
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