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Combined experimental and DFT studies of Co82Zr12V6-xBx melt-spun ribbons to investigate structure and magnetic properties
For the development of rare-earth free permanent magnets with better performance to cost ratio, V and B dopings were employed to enhance the hard magnetic properties of Zr-Co-V-B alloys. The effect of V and B microalloying additions on the magnetic properties, phase stability and microstructure of t...
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Published in: | Journal of magnetism and magnetic materials 2022-04, Vol.547, p.168940, Article 168940 |
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description | For the development of rare-earth free permanent magnets with better performance to cost ratio, V and B dopings were employed to enhance the hard magnetic properties of Zr-Co-V-B alloys. The effect of V and B microalloying additions on the magnetic properties, phase stability and microstructure of the metastable Co5Zr phase have been investigated with experimental measurements together with first principles based on the DFT (Density Functional Theory) calculations. This study also investigates the effects of annealing at different temperatures on the intrinsic and extrinsic magnetic properties of Co82Zr12V6-xBx melt-spun ribbons. Rapidly solidified Co82Zr12V6-xBx (x = 1, 2, 3) alloy ribbons were produced by melt-spinning. For as-spun Co82Zr12V6-xBx (x = 1, 2, 3) ribbons, the coercivity Hc decreases from 2.34 kOe to 0.008 kOe with an increasing × value from 1 to 3. The amorphous alloy ribbons were annealed in a vacuum furnace at a series of temperatures of 600 °C, 650 °C, 700 °C and 750 °C each for 30 min. The XRD analysis showed the presence of two soft magnetic phases (fcc-Co and Co23Zr6), accompanied with a hard phase Co5Zr in ribbons thus leading to the desired hard/soft structure and the amount of both (hard and soft) phases increased with the annealing temperature. Coercivity was found to increase upon annealing treatment. The phase stabilities of the Co82Zr12V6-xBx ribbons were calculated from the total energy by the DFT calculations in this work. The calculated magnetic anisotropy energies have been compared to that of experimental coercivity values. Annealed sample Co82Zr12V5B1 showed the maximum coercivity value of 3.58 kOe due to the formation of a high volume fraction of hard magnetic phase (Co5Zr) and evenly distributed finer grains throughout the matrix. However, annealing under the same conditions resulted in lower coercivity of about 0.088 kOe and 1.61 kOe for Co82Zr12V3B3 and Co82Zr12V4B2 samples, respectively. Although sample Co82Zr12V4B2 exhibited higher remanence (42.80 emu/g) and maximum magnetization value with the applied field of 17 kOe (i.e. M17 = 77.70 emu/g) compared to Co82Zr12V3B3 sample. |
doi_str_mv | 10.1016/j.jmmm.2021.168940 |
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The effect of V and B microalloying additions on the magnetic properties, phase stability and microstructure of the metastable Co5Zr phase have been investigated with experimental measurements together with first principles based on the DFT (Density Functional Theory) calculations. This study also investigates the effects of annealing at different temperatures on the intrinsic and extrinsic magnetic properties of Co82Zr12V6-xBx melt-spun ribbons. Rapidly solidified Co82Zr12V6-xBx (x = 1, 2, 3) alloy ribbons were produced by melt-spinning. For as-spun Co82Zr12V6-xBx (x = 1, 2, 3) ribbons, the coercivity Hc decreases from 2.34 kOe to 0.008 kOe with an increasing × value from 1 to 3. The amorphous alloy ribbons were annealed in a vacuum furnace at a series of temperatures of 600 °C, 650 °C, 700 °C and 750 °C each for 30 min. The XRD analysis showed the presence of two soft magnetic phases (fcc-Co and Co23Zr6), accompanied with a hard phase Co5Zr in ribbons thus leading to the desired hard/soft structure and the amount of both (hard and soft) phases increased with the annealing temperature. Coercivity was found to increase upon annealing treatment. The phase stabilities of the Co82Zr12V6-xBx ribbons were calculated from the total energy by the DFT calculations in this work. The calculated magnetic anisotropy energies have been compared to that of experimental coercivity values. Annealed sample Co82Zr12V5B1 showed the maximum coercivity value of 3.58 kOe due to the formation of a high volume fraction of hard magnetic phase (Co5Zr) and evenly distributed finer grains throughout the matrix. However, annealing under the same conditions resulted in lower coercivity of about 0.088 kOe and 1.61 kOe for Co82Zr12V3B3 and Co82Zr12V4B2 samples, respectively. Although sample Co82Zr12V4B2 exhibited higher remanence (42.80 emu/g) and maximum magnetization value with the applied field of 17 kOe (i.e. M17 = 77.70 emu/g) compared to Co82Zr12V3B3 sample.</description><identifier>ISSN: 0304-8853</identifier><identifier>EISSN: 1873-4766</identifier><identifier>DOI: 10.1016/j.jmmm.2021.168940</identifier><language>eng</language><publisher>Amsterdam: Elsevier BV</publisher><subject>Alloys ; Amorphous alloys ; Annealing ; Annealing furnaces ; Coercivity ; Density functional theory ; First principles ; Magnetic anisotropy ; Magnetic properties ; Mathematical analysis ; Melt spinning ; Metallic glasses ; Permanent magnets ; Phase stability ; Rapid solidification ; Rare earth elements ; Remanence ; Vacuum furnaces ; Zirconium</subject><ispartof>Journal of magnetism and magnetic materials, 2022-04, Vol.547, p.168940, Article 168940</ispartof><rights>Copyright Elsevier BV Apr 1, 2022</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c275t-7bee546d800823146db9e3b6ca0ae2608650d6ff9e1e9661eb46dc3fa89e3b893</citedby><cites>FETCH-LOGICAL-c275t-7bee546d800823146db9e3b6ca0ae2608650d6ff9e1e9661eb46dc3fa89e3b893</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Oraon, A.</creatorcontrib><creatorcontrib>Adhikary, T.</creatorcontrib><creatorcontrib>Das, G.P.</creatorcontrib><creatorcontrib>Ghosh, S.</creatorcontrib><creatorcontrib>Garg, A.</creatorcontrib><creatorcontrib>Raja, A.</creatorcontrib><creatorcontrib>Aich, S.</creatorcontrib><title>Combined experimental and DFT studies of Co82Zr12V6-xBx melt-spun ribbons to investigate structure and magnetic properties</title><title>Journal of magnetism and magnetic materials</title><description>For the development of rare-earth free permanent magnets with better performance to cost ratio, V and B dopings were employed to enhance the hard magnetic properties of Zr-Co-V-B alloys. The effect of V and B microalloying additions on the magnetic properties, phase stability and microstructure of the metastable Co5Zr phase have been investigated with experimental measurements together with first principles based on the DFT (Density Functional Theory) calculations. This study also investigates the effects of annealing at different temperatures on the intrinsic and extrinsic magnetic properties of Co82Zr12V6-xBx melt-spun ribbons. Rapidly solidified Co82Zr12V6-xBx (x = 1, 2, 3) alloy ribbons were produced by melt-spinning. For as-spun Co82Zr12V6-xBx (x = 1, 2, 3) ribbons, the coercivity Hc decreases from 2.34 kOe to 0.008 kOe with an increasing × value from 1 to 3. The amorphous alloy ribbons were annealed in a vacuum furnace at a series of temperatures of 600 °C, 650 °C, 700 °C and 750 °C each for 30 min. The XRD analysis showed the presence of two soft magnetic phases (fcc-Co and Co23Zr6), accompanied with a hard phase Co5Zr in ribbons thus leading to the desired hard/soft structure and the amount of both (hard and soft) phases increased with the annealing temperature. Coercivity was found to increase upon annealing treatment. The phase stabilities of the Co82Zr12V6-xBx ribbons were calculated from the total energy by the DFT calculations in this work. The calculated magnetic anisotropy energies have been compared to that of experimental coercivity values. Annealed sample Co82Zr12V5B1 showed the maximum coercivity value of 3.58 kOe due to the formation of a high volume fraction of hard magnetic phase (Co5Zr) and evenly distributed finer grains throughout the matrix. However, annealing under the same conditions resulted in lower coercivity of about 0.088 kOe and 1.61 kOe for Co82Zr12V3B3 and Co82Zr12V4B2 samples, respectively. Although sample Co82Zr12V4B2 exhibited higher remanence (42.80 emu/g) and maximum magnetization value with the applied field of 17 kOe (i.e. M17 = 77.70 emu/g) compared to Co82Zr12V3B3 sample.</description><subject>Alloys</subject><subject>Amorphous alloys</subject><subject>Annealing</subject><subject>Annealing furnaces</subject><subject>Coercivity</subject><subject>Density functional theory</subject><subject>First principles</subject><subject>Magnetic anisotropy</subject><subject>Magnetic properties</subject><subject>Mathematical analysis</subject><subject>Melt spinning</subject><subject>Metallic glasses</subject><subject>Permanent magnets</subject><subject>Phase stability</subject><subject>Rapid solidification</subject><subject>Rare earth elements</subject><subject>Remanence</subject><subject>Vacuum furnaces</subject><subject>Zirconium</subject><issn>0304-8853</issn><issn>1873-4766</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNotkD1PwzAQhi0EEqXwB5gsMSf4I3GcEQoFpEoshYHFcpJLlaixg-2gwq_HoUx3w3Pve3oQuqYkpYSK2z7th2FIGWE0pUKWGTlBCyoLnmSFEKdoQTjJEilzfo4uvO8JITSTYoF-VnaoOgMNhsMIrhvABL3H2jT4Yb3FPkxNBx7bFq-sZB-OsneRHO4PeIB9SPw4Gey6qrLG42BxZ77Ah26nA8RTN9VhcvAXNuidgdDVeHQ29oQYeonOWr33cPU_l-ht_bhdPSeb16eX1d0mqVmRh6SoAPJMNJIQyTiNW1UCr0StiQYmiBQ5aUTblkChFIJCFZGat1rOmCz5Et0cc2P15xT_U72dnImVigleEp7RkkaKHanaWe8dtGqMNrT7VpSo2bHq1exYzY7V0TH_BZ7bchs</recordid><startdate>202204</startdate><enddate>202204</enddate><creator>Oraon, A.</creator><creator>Adhikary, T.</creator><creator>Das, G.P.</creator><creator>Ghosh, S.</creator><creator>Garg, A.</creator><creator>Raja, A.</creator><creator>Aich, S.</creator><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>202204</creationdate><title>Combined experimental and DFT studies of Co82Zr12V6-xBx melt-spun ribbons to investigate structure and magnetic properties</title><author>Oraon, A. ; Adhikary, T. ; Das, G.P. ; Ghosh, S. ; Garg, A. ; Raja, A. ; Aich, S.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c275t-7bee546d800823146db9e3b6ca0ae2608650d6ff9e1e9661eb46dc3fa89e3b893</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Alloys</topic><topic>Amorphous alloys</topic><topic>Annealing</topic><topic>Annealing furnaces</topic><topic>Coercivity</topic><topic>Density functional theory</topic><topic>First principles</topic><topic>Magnetic anisotropy</topic><topic>Magnetic properties</topic><topic>Mathematical analysis</topic><topic>Melt spinning</topic><topic>Metallic glasses</topic><topic>Permanent magnets</topic><topic>Phase stability</topic><topic>Rapid solidification</topic><topic>Rare earth elements</topic><topic>Remanence</topic><topic>Vacuum furnaces</topic><topic>Zirconium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Oraon, A.</creatorcontrib><creatorcontrib>Adhikary, T.</creatorcontrib><creatorcontrib>Das, G.P.</creatorcontrib><creatorcontrib>Ghosh, S.</creatorcontrib><creatorcontrib>Garg, A.</creatorcontrib><creatorcontrib>Raja, A.</creatorcontrib><creatorcontrib>Aich, S.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of magnetism and magnetic materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Oraon, A.</au><au>Adhikary, T.</au><au>Das, G.P.</au><au>Ghosh, S.</au><au>Garg, A.</au><au>Raja, A.</au><au>Aich, S.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Combined experimental and DFT studies of Co82Zr12V6-xBx melt-spun ribbons to investigate structure and magnetic properties</atitle><jtitle>Journal of magnetism and magnetic materials</jtitle><date>2022-04</date><risdate>2022</risdate><volume>547</volume><spage>168940</spage><pages>168940-</pages><artnum>168940</artnum><issn>0304-8853</issn><eissn>1873-4766</eissn><abstract>For the development of rare-earth free permanent magnets with better performance to cost ratio, V and B dopings were employed to enhance the hard magnetic properties of Zr-Co-V-B alloys. The effect of V and B microalloying additions on the magnetic properties, phase stability and microstructure of the metastable Co5Zr phase have been investigated with experimental measurements together with first principles based on the DFT (Density Functional Theory) calculations. This study also investigates the effects of annealing at different temperatures on the intrinsic and extrinsic magnetic properties of Co82Zr12V6-xBx melt-spun ribbons. Rapidly solidified Co82Zr12V6-xBx (x = 1, 2, 3) alloy ribbons were produced by melt-spinning. For as-spun Co82Zr12V6-xBx (x = 1, 2, 3) ribbons, the coercivity Hc decreases from 2.34 kOe to 0.008 kOe with an increasing × value from 1 to 3. The amorphous alloy ribbons were annealed in a vacuum furnace at a series of temperatures of 600 °C, 650 °C, 700 °C and 750 °C each for 30 min. The XRD analysis showed the presence of two soft magnetic phases (fcc-Co and Co23Zr6), accompanied with a hard phase Co5Zr in ribbons thus leading to the desired hard/soft structure and the amount of both (hard and soft) phases increased with the annealing temperature. Coercivity was found to increase upon annealing treatment. The phase stabilities of the Co82Zr12V6-xBx ribbons were calculated from the total energy by the DFT calculations in this work. The calculated magnetic anisotropy energies have been compared to that of experimental coercivity values. Annealed sample Co82Zr12V5B1 showed the maximum coercivity value of 3.58 kOe due to the formation of a high volume fraction of hard magnetic phase (Co5Zr) and evenly distributed finer grains throughout the matrix. However, annealing under the same conditions resulted in lower coercivity of about 0.088 kOe and 1.61 kOe for Co82Zr12V3B3 and Co82Zr12V4B2 samples, respectively. Although sample Co82Zr12V4B2 exhibited higher remanence (42.80 emu/g) and maximum magnetization value with the applied field of 17 kOe (i.e. M17 = 77.70 emu/g) compared to Co82Zr12V3B3 sample.</abstract><cop>Amsterdam</cop><pub>Elsevier BV</pub><doi>10.1016/j.jmmm.2021.168940</doi></addata></record> |
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subjects | Alloys Amorphous alloys Annealing Annealing furnaces Coercivity Density functional theory First principles Magnetic anisotropy Magnetic properties Mathematical analysis Melt spinning Metallic glasses Permanent magnets Phase stability Rapid solidification Rare earth elements Remanence Vacuum furnaces Zirconium |
title | Combined experimental and DFT studies of Co82Zr12V6-xBx melt-spun ribbons to investigate structure and magnetic properties |
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