Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique
U-Pu-Zr alloys are considered ideal metallic fuels for experimental breeder reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a therma...
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| Veröffentlicht in: | Metallurgical and materials transactions. A, Physical metallurgy and materials science Physical metallurgy and materials science, 2018-12, Vol.49 (12), p.6457-6468 |
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| creator | Cox, Jordan J. Homer, Eric R. Tikare, Veena Kurata, Masaki |
| description | U-Pu-Zr alloys are considered ideal metallic fuels for experimental breeder reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a thermal gradient, resulting in inhomogeneity of both composition and phase, which, in turn, alters the fuel performance. The hybrid Potts-phase field method is reformulated for ternary alloys in a thermal gradient and utilized to simulate and predict constituent redistribution and phase transformations in the U-Pu-Zr nuclear fuel system. Simulated evolution profiles for the U-16Pu-23Zr (at. pct) alloy show concentric zones that are compared with published experimental results; discrepancies in zone size are attributed to thermal profile differences and assumptions related to the diffusivity values used. Twenty-one alloys, over the entire ternary compositional spectrum, are also simulated to investigate the effects of alloy composition on constituent redistribution and phase transformations. The U-40Pu-20Zr (at. pct) alloy shows the most potential for compositional uniformity and phase homogeneity, throughout a thermal gradient, while remaining in the compositional range of feasible alloys. |
| doi_str_mv | 10.1007/s11661-018-4922-7 |
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(SNL-NM), Albuquerque, NM (United States)</creatorcontrib><description>U-Pu-Zr alloys are considered ideal metallic fuels for experimental breeder reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a thermal gradient, resulting in inhomogeneity of both composition and phase, which, in turn, alters the fuel performance. The hybrid Potts-phase field method is reformulated for ternary alloys in a thermal gradient and utilized to simulate and predict constituent redistribution and phase transformations in the U-Pu-Zr nuclear fuel system. Simulated evolution profiles for the U-16Pu-23Zr (at. pct) alloy show concentric zones that are compared with published experimental results; discrepancies in zone size are attributed to thermal profile differences and assumptions related to the diffusivity values used. Twenty-one alloys, over the entire ternary compositional spectrum, are also simulated to investigate the effects of alloy composition on constituent redistribution and phase transformations. The U-40Pu-20Zr (at. pct) alloy shows the most potential for compositional uniformity and phase homogeneity, throughout a thermal gradient, while remaining in the compositional range of feasible alloys.</description><identifier>ISSN: 1073-5623</identifier><identifier>EISSN: 1543-1940</identifier><identifier>DOI: 10.1007/s11661-018-4922-7</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Alloys ; Breeder reactors ; Characterization and Evaluation of Materials ; Chemistry and Materials Science ; Composition effects ; Computer simulation ; Fuel systems ; Inhomogeneity ; Material properties ; MATERIALS SCIENCE ; Metallic Materials ; Metallurgical constituents ; Microstructure ; Nanotechnology ; Nuclear fuels ; Nuclear reactors ; Phase transitions ; Plutonium ; Simulated evolution ; Structural Materials ; Surfaces and Interfaces ; Temperature ; Ternary alloys ; Thin Films ; Uranium base alloys ; Zirconium</subject><ispartof>Metallurgical and materials transactions. 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(SNL-NM), Albuquerque, NM (United States)</creatorcontrib><title>Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique</title><title>Metallurgical and materials transactions. A, Physical metallurgy and materials science</title><addtitle>Metall Mater Trans A</addtitle><description>U-Pu-Zr alloys are considered ideal metallic fuels for experimental breeder reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a thermal gradient, resulting in inhomogeneity of both composition and phase, which, in turn, alters the fuel performance. The hybrid Potts-phase field method is reformulated for ternary alloys in a thermal gradient and utilized to simulate and predict constituent redistribution and phase transformations in the U-Pu-Zr nuclear fuel system. Simulated evolution profiles for the U-16Pu-23Zr (at. pct) alloy show concentric zones that are compared with published experimental results; discrepancies in zone size are attributed to thermal profile differences and assumptions related to the diffusivity values used. Twenty-one alloys, over the entire ternary compositional spectrum, are also simulated to investigate the effects of alloy composition on constituent redistribution and phase transformations. The U-40Pu-20Zr (at. pct) alloy shows the most potential for compositional uniformity and phase homogeneity, throughout a thermal gradient, while remaining in the compositional range of feasible alloys.</description><subject>Alloys</subject><subject>Breeder reactors</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry and Materials Science</subject><subject>Composition effects</subject><subject>Computer simulation</subject><subject>Fuel systems</subject><subject>Inhomogeneity</subject><subject>Material properties</subject><subject>MATERIALS SCIENCE</subject><subject>Metallic Materials</subject><subject>Metallurgical constituents</subject><subject>Microstructure</subject><subject>Nanotechnology</subject><subject>Nuclear fuels</subject><subject>Nuclear reactors</subject><subject>Phase transitions</subject><subject>Plutonium</subject><subject>Simulated evolution</subject><subject>Structural Materials</subject><subject>Surfaces and Interfaces</subject><subject>Temperature</subject><subject>Ternary alloys</subject><subject>Thin Films</subject><subject>Uranium base alloys</subject><subject>Zirconium</subject><issn>1073-5623</issn><issn>1543-1940</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><sourceid>8G5</sourceid><sourceid>BENPR</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNp1kV9PwyAUxRujiX8_gG9En1EupbQ8mmVTE41L3F58IYzSjaUrE-iSfXtpauKTT9zA75zcw8myWyAPQEj5GAA4B0ygwkxQisuT7AIKlmMQjJymmZQ5LjjNz7PLELaEEBA5v8gOn3bXtyqaGr1b7V2Ivtex96pFqqvRxO32LthoXZdupgfX9sOMXIOWeN7jL4-e2tYdA1oG261R3Bg0dzEGPN-oYNDMmjY5u9q0w_PC6E1nv3tznZ01qg3m5ve8ypaz6WLygt8-nl8nT29Y5xWPuNCU81pQEEXBQeWMGaMZ0BRMr0qgolK01rwQK6LLSlfC1KYB0TQKWLGiPL_K7kbfFMzKoG1MG2jXdUZHCawqGBMJuh-hvXdptxDl1vU-BQ6SAuRcQMloomCkhl8K3jRy7-1O-aMEIocO5NiBTB3IoQNZJg0dNSGx3dr4P-f_RT_MiYmV</recordid><startdate>20181201</startdate><enddate>20181201</enddate><creator>Cox, Jordan J.</creator><creator>Homer, Eric R.</creator><creator>Tikare, Veena</creator><creator>Kurata, Masaki</creator><general>Springer US</general><general>Springer Nature B.V</general><general>ASM International</general><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>4T-</scope><scope>4U-</scope><scope>7SR</scope><scope>7XB</scope><scope>88I</scope><scope>8AF</scope><scope>8AO</scope><scope>8BQ</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>8G5</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>HCIFZ</scope><scope>JG9</scope><scope>KB.</scope><scope>L6V</scope><scope>M2O</scope><scope>M2P</scope><scope>M7S</scope><scope>MBDVC</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>Q9U</scope><scope>S0X</scope><scope>OIOZB</scope><scope>OTOTI</scope></search><sort><creationdate>20181201</creationdate><title>Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique</title><author>Cox, Jordan J. ; Homer, Eric R. ; Tikare, Veena ; Kurata, Masaki</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c386t-5c266d92195561a344eec412543cb71298a2dc659b0c78c89edef19ffa145b263</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Alloys</topic><topic>Breeder reactors</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry and Materials Science</topic><topic>Composition effects</topic><topic>Computer simulation</topic><topic>Fuel systems</topic><topic>Inhomogeneity</topic><topic>Material properties</topic><topic>MATERIALS SCIENCE</topic><topic>Metallic Materials</topic><topic>Metallurgical constituents</topic><topic>Microstructure</topic><topic>Nanotechnology</topic><topic>Nuclear fuels</topic><topic>Nuclear reactors</topic><topic>Phase transitions</topic><topic>Plutonium</topic><topic>Simulated evolution</topic><topic>Structural Materials</topic><topic>Surfaces and Interfaces</topic><topic>Temperature</topic><topic>Ternary alloys</topic><topic>Thin Films</topic><topic>Uranium base alloys</topic><topic>Zirconium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cox, Jordan J.</creatorcontrib><creatorcontrib>Homer, Eric R.</creatorcontrib><creatorcontrib>Tikare, Veena</creatorcontrib><creatorcontrib>Kurata, Masaki</creatorcontrib><creatorcontrib>Sandia National Lab. 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A, Physical metallurgy and materials science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cox, Jordan J.</au><au>Homer, Eric R.</au><au>Tikare, Veena</au><au>Kurata, Masaki</au><aucorp>Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique</atitle><jtitle>Metallurgical and materials transactions. A, Physical metallurgy and materials science</jtitle><stitle>Metall Mater Trans A</stitle><date>2018-12-01</date><risdate>2018</risdate><volume>49</volume><issue>12</issue><spage>6457</spage><epage>6468</epage><pages>6457-6468</pages><issn>1073-5623</issn><eissn>1543-1940</eissn><abstract>U-Pu-Zr alloys are considered ideal metallic fuels for experimental breeder reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a thermal gradient, resulting in inhomogeneity of both composition and phase, which, in turn, alters the fuel performance. The hybrid Potts-phase field method is reformulated for ternary alloys in a thermal gradient and utilized to simulate and predict constituent redistribution and phase transformations in the U-Pu-Zr nuclear fuel system. Simulated evolution profiles for the U-16Pu-23Zr (at. pct) alloy show concentric zones that are compared with published experimental results; discrepancies in zone size are attributed to thermal profile differences and assumptions related to the diffusivity values used. Twenty-one alloys, over the entire ternary compositional spectrum, are also simulated to investigate the effects of alloy composition on constituent redistribution and phase transformations. The U-40Pu-20Zr (at. pct) alloy shows the most potential for compositional uniformity and phase homogeneity, throughout a thermal gradient, while remaining in the compositional range of feasible alloys.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11661-018-4922-7</doi><tpages>12</tpages><oa>free_for_read</oa></addata></record> |
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| subjects | Alloys Breeder reactors Characterization and Evaluation of Materials Chemistry and Materials Science Composition effects Computer simulation Fuel systems Inhomogeneity Material properties MATERIALS SCIENCE Metallic Materials Metallurgical constituents Microstructure Nanotechnology Nuclear fuels Nuclear reactors Phase transitions Plutonium Simulated evolution Structural Materials Surfaces and Interfaces Temperature Ternary alloys Thin Films Uranium base alloys Zirconium |
| title | Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique |
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