On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties
Design-driven materials engineering is gaining wider acceptance with the advancement and refinement of commercially available thermodynamic software as well as enhanced computing power. Computationally designed materials are a significant improvement over the more common and resource-intensive exper...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-12-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/13/24/5747 |
| _version_ | 1797544506909786112 |
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| author | Danielle L. Cote Bryer C. Sousa Victor K. Champagne Richard D. Sisson |
| author_facet | Danielle L. Cote Bryer C. Sousa Victor K. Champagne Richard D. Sisson |
| author_sort | Danielle L. Cote |
| collection | DOAJ |
| description | Design-driven materials engineering is gaining wider acceptance with the advancement and refinement of commercially available thermodynamic software as well as enhanced computing power. Computationally designed materials are a significant improvement over the more common and resource-intensive experimental approach to materials design by way of trial and error. While not entirely eliminating experimental methods for alloy design, thermodynamic and kinetic models provide accurate predictions of phases within a given alloy, which enables material properties to be calculated. Accordingly, the present paper introduces a new technique that offers a systematic method of material design by way of utilizing commercial computational software, which has been termed the elemental impact factor. In turn, the present manuscript considers Al 6061 as a proof-of-concept metallic alloy system for elemental impact factor substantiation. Effects of chemical composition on resultant equilibrium and metastable material phases as well as properties can be efficiently assessed with the elemental impact factor framework for metallurgical materials design. Desired phases or properties may be produced by adding elements with a positive elemental impact factor, while deleterious phases or undesired properties may be reduced by adding elements with a negative elemental impact factor. Therefore, the elemental impact factor methodology was presented and then demonstrated herein with examples that showcase the technique’s potential applications and utility for integrated structure-processing-property-performance analysis. |
| first_indexed | 2024-03-10T14:01:30Z |
| format | Article |
| id | doaj.art-e1db776daf664e4eb085f2b04d9663d9 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T14:01:30Z |
| publishDate | 2020-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-e1db776daf664e4eb085f2b04d9663d92023-11-21T01:05:41ZengMDPI AGMaterials1996-19442020-12-011324574710.3390/ma13245747On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material PropertiesDanielle L. Cote0Bryer C. Sousa1Victor K. Champagne2Richard D. Sisson3Materials Science and Engineering Program, Department of Mechanical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609, USAMaterials Science and Engineering Program, Department of Mechanical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609, USAU.S. Army Research Laboratory, Aberdeen Proving Ground, Adelphi, MD 21005-5201, USAMaterials Science and Engineering Program, Department of Mechanical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609, USADesign-driven materials engineering is gaining wider acceptance with the advancement and refinement of commercially available thermodynamic software as well as enhanced computing power. Computationally designed materials are a significant improvement over the more common and resource-intensive experimental approach to materials design by way of trial and error. While not entirely eliminating experimental methods for alloy design, thermodynamic and kinetic models provide accurate predictions of phases within a given alloy, which enables material properties to be calculated. Accordingly, the present paper introduces a new technique that offers a systematic method of material design by way of utilizing commercial computational software, which has been termed the elemental impact factor. In turn, the present manuscript considers Al 6061 as a proof-of-concept metallic alloy system for elemental impact factor substantiation. Effects of chemical composition on resultant equilibrium and metastable material phases as well as properties can be efficiently assessed with the elemental impact factor framework for metallurgical materials design. Desired phases or properties may be produced by adding elements with a positive elemental impact factor, while deleterious phases or undesired properties may be reduced by adding elements with a negative elemental impact factor. Therefore, the elemental impact factor methodology was presented and then demonstrated herein with examples that showcase the technique’s potential applications and utility for integrated structure-processing-property-performance analysis.https://www.mdpi.com/1996-1944/13/24/5747elemental impact factormaterials designalloy compositioncomputational thermodynamics and kineticsphase formationmetallurgical properties and microstructure |
| spellingShingle | Danielle L. Cote Bryer C. Sousa Victor K. Champagne Richard D. Sisson On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties Materials elemental impact factor materials design alloy composition computational thermodynamics and kinetics phase formation metallurgical properties and microstructure |
| title | On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties |
| title_full | On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties |
| title_fullStr | On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties |
| title_full_unstemmed | On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties |
| title_short | On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties |
| title_sort | on the elemental impact factor a method to determine an alloy s compositional influences upon phase stability and metallurgical material properties |
| topic | elemental impact factor materials design alloy composition computational thermodynamics and kinetics phase formation metallurgical properties and microstructure |
| url | https://www.mdpi.com/1996-1944/13/24/5747 |
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