Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys
Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs a...
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| Autor*in: |
Wang, William Yi [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017 |
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| Schlagwörter: |
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| Anmerkung: |
© ASM International 2017 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of phase equilibria and diffusion - Springer US, 2004, 38(2017), 4 vom: 12. Juni, Seite 404-415 |
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| Übergeordnetes Werk: |
volume:38 ; year:2017 ; number:4 ; day:12 ; month:06 ; pages:404-415 |
| Links: |
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| DOI / URN: |
10.1007/s11669-017-0565-4 |
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OLC2026766991 |
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| 520 | |a Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. | ||
| 650 | 4 | |a bonding charge density | |
| 650 | 4 | |a cluster-plus-glue-atom model | |
| 650 | 4 | |a high entropy alloys | |
| 650 | 4 | |a small set of ordered structures (SSOS) | |
| 650 | 4 | |a special quasirandom structures (SQS) | |
| 700 | 1 | |a Wang, Jun |4 aut | |
| 700 | 1 | |a Lin, Deye |4 aut | |
| 700 | 1 | |a Zou, Chengxiong |4 aut | |
| 700 | 1 | |a Wu, Yidong |4 aut | |
| 700 | 1 | |a Hu, Yongjie |4 aut | |
| 700 | 1 | |a Shang, Shun-Li |4 aut | |
| 700 | 1 | |a Darling, Kristopher A. |4 aut | |
| 700 | 1 | |a Wang, Yiguang |4 aut | |
| 700 | 1 | |a Hui, Xidong |4 aut | |
| 700 | 1 | |a Li, Jinshan |4 aut | |
| 700 | 1 | |a Kecskes, Laszlo J. |4 aut | |
| 700 | 1 | |a Liaw, Peter K. |4 aut | |
| 700 | 1 | |a Liu, Zi-Kui |4 aut | |
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10.1007/s11669-017-0565-4 doi (DE-627)OLC2026766991 (DE-He213)s11669-017-0565-4-p DE-627 ger DE-627 rakwb eng 620 660 670 VZ 51.10$jMetallphysik bkl Wang, William Yi verfasserin (orcid)0000-0002-8814-525X aut Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International 2017 Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. bonding charge density cluster-plus-glue-atom model high entropy alloys small set of ordered structures (SSOS) special quasirandom structures (SQS) Wang, Jun aut Lin, Deye aut Zou, Chengxiong aut Wu, Yidong aut Hu, Yongjie aut Shang, Shun-Li aut Darling, Kristopher A. aut Wang, Yiguang aut Hui, Xidong aut Li, Jinshan aut Kecskes, Laszlo J. aut Liaw, Peter K. aut Liu, Zi-Kui aut Enthalten in Journal of phase equilibria and diffusion Springer US, 2004 38(2017), 4 vom: 12. Juni, Seite 404-415 (DE-627)393353648 (DE-600)2140016-7 (DE-576)113026102 1547-7037 nnns volume:38 year:2017 number:4 day:12 month:06 pages:404-415 https://doi.org/10.1007/s11669-017-0565-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_30 GBV_ILN_70 51.10$jMetallphysik VZ 106417843 (DE-625)106417843 AR 38 2017 4 12 06 404-415 |
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10.1007/s11669-017-0565-4 doi (DE-627)OLC2026766991 (DE-He213)s11669-017-0565-4-p DE-627 ger DE-627 rakwb eng 620 660 670 VZ 51.10$jMetallphysik bkl Wang, William Yi verfasserin (orcid)0000-0002-8814-525X aut Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International 2017 Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. bonding charge density cluster-plus-glue-atom model high entropy alloys small set of ordered structures (SSOS) special quasirandom structures (SQS) Wang, Jun aut Lin, Deye aut Zou, Chengxiong aut Wu, Yidong aut Hu, Yongjie aut Shang, Shun-Li aut Darling, Kristopher A. aut Wang, Yiguang aut Hui, Xidong aut Li, Jinshan aut Kecskes, Laszlo J. aut Liaw, Peter K. aut Liu, Zi-Kui aut Enthalten in Journal of phase equilibria and diffusion Springer US, 2004 38(2017), 4 vom: 12. Juni, Seite 404-415 (DE-627)393353648 (DE-600)2140016-7 (DE-576)113026102 1547-7037 nnns volume:38 year:2017 number:4 day:12 month:06 pages:404-415 https://doi.org/10.1007/s11669-017-0565-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_30 GBV_ILN_70 51.10$jMetallphysik VZ 106417843 (DE-625)106417843 AR 38 2017 4 12 06 404-415 |
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10.1007/s11669-017-0565-4 doi (DE-627)OLC2026766991 (DE-He213)s11669-017-0565-4-p DE-627 ger DE-627 rakwb eng 620 660 670 VZ 51.10$jMetallphysik bkl Wang, William Yi verfasserin (orcid)0000-0002-8814-525X aut Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International 2017 Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. bonding charge density cluster-plus-glue-atom model high entropy alloys small set of ordered structures (SSOS) special quasirandom structures (SQS) Wang, Jun aut Lin, Deye aut Zou, Chengxiong aut Wu, Yidong aut Hu, Yongjie aut Shang, Shun-Li aut Darling, Kristopher A. aut Wang, Yiguang aut Hui, Xidong aut Li, Jinshan aut Kecskes, Laszlo J. aut Liaw, Peter K. aut Liu, Zi-Kui aut Enthalten in Journal of phase equilibria and diffusion Springer US, 2004 38(2017), 4 vom: 12. Juni, Seite 404-415 (DE-627)393353648 (DE-600)2140016-7 (DE-576)113026102 1547-7037 nnns volume:38 year:2017 number:4 day:12 month:06 pages:404-415 https://doi.org/10.1007/s11669-017-0565-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_30 GBV_ILN_70 51.10$jMetallphysik VZ 106417843 (DE-625)106417843 AR 38 2017 4 12 06 404-415 |
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10.1007/s11669-017-0565-4 doi (DE-627)OLC2026766991 (DE-He213)s11669-017-0565-4-p DE-627 ger DE-627 rakwb eng 620 660 670 VZ 51.10$jMetallphysik bkl Wang, William Yi verfasserin (orcid)0000-0002-8814-525X aut Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International 2017 Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. bonding charge density cluster-plus-glue-atom model high entropy alloys small set of ordered structures (SSOS) special quasirandom structures (SQS) Wang, Jun aut Lin, Deye aut Zou, Chengxiong aut Wu, Yidong aut Hu, Yongjie aut Shang, Shun-Li aut Darling, Kristopher A. aut Wang, Yiguang aut Hui, Xidong aut Li, Jinshan aut Kecskes, Laszlo J. aut Liaw, Peter K. aut Liu, Zi-Kui aut Enthalten in Journal of phase equilibria and diffusion Springer US, 2004 38(2017), 4 vom: 12. Juni, Seite 404-415 (DE-627)393353648 (DE-600)2140016-7 (DE-576)113026102 1547-7037 nnns volume:38 year:2017 number:4 day:12 month:06 pages:404-415 https://doi.org/10.1007/s11669-017-0565-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_30 GBV_ILN_70 51.10$jMetallphysik VZ 106417843 (DE-625)106417843 AR 38 2017 4 12 06 404-415 |
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10.1007/s11669-017-0565-4 doi (DE-627)OLC2026766991 (DE-He213)s11669-017-0565-4-p DE-627 ger DE-627 rakwb eng 620 660 670 VZ 51.10$jMetallphysik bkl Wang, William Yi verfasserin (orcid)0000-0002-8814-525X aut Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International 2017 Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. bonding charge density cluster-plus-glue-atom model high entropy alloys small set of ordered structures (SSOS) special quasirandom structures (SQS) Wang, Jun aut Lin, Deye aut Zou, Chengxiong aut Wu, Yidong aut Hu, Yongjie aut Shang, Shun-Li aut Darling, Kristopher A. aut Wang, Yiguang aut Hui, Xidong aut Li, Jinshan aut Kecskes, Laszlo J. aut Liaw, Peter K. aut Liu, Zi-Kui aut Enthalten in Journal of phase equilibria and diffusion Springer US, 2004 38(2017), 4 vom: 12. Juni, Seite 404-415 (DE-627)393353648 (DE-600)2140016-7 (DE-576)113026102 1547-7037 nnns volume:38 year:2017 number:4 day:12 month:06 pages:404-415 https://doi.org/10.1007/s11669-017-0565-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_30 GBV_ILN_70 51.10$jMetallphysik VZ 106417843 (DE-625)106417843 AR 38 2017 4 12 06 404-415 |
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In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. 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Wang, William Yi Wang, Jun Lin, Deye Zou, Chengxiong Wu, Yidong Hu, Yongjie Shang, Shun-Li Darling, Kristopher A. Wang, Yiguang Hui, Xidong Li, Jinshan Kecskes, Laszlo J. Liaw, Peter K. Liu, Zi-Kui |
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revealing the microstates of body-centered-cubic (bcc) equiatomic high entropy alloys |
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Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys |
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Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. © ASM International 2017 |
| abstractGer |
Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. © ASM International 2017 |
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Abstract Attributing to the attractive mechanical properties, e.g., high yield strength and fracture toughness, the atomic and electronic basis for high entropy alloys (HEAs) are under extensive studies. In the present work, the local atomic arrangement of body-centered-cubic (BCC) equiatomic HEAs are revealed by the CN14 cluster-plus-glue-atom model and the 32 atoms special quasirandom structures. Moreover, the cluster-plus-glue-atom model is utilized to generate ordered and disordered configurations. The bonding lengths among the same and different alloying elements are comprehensively compared in term of their partial pair correlation function (PCF). According to the specific (well-defined) position of each partial PCF of the BCC structure, the order–disorder/random configurational transitions are revealed by the absence of partial PCF peaks. Here, the $ WMoTM_{1} $$ TM_{2} $ (TM = Ta, Nb, and V) BCC equiatomic refractory HEAs are selected as a case study. Through mixing various groups of alloying elements, the atomic-size differences not only result in the lattice mismatch/distortion but also yield the formation of weak spots. Their bonding-charge density captures the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences among various elements, which also presents the physical nature of the loosely-bonded weak spots and the tightly-bonded clusters. It is worth mentioning that both the PCF and the negative enthalpy of mixing can be utilized to characterize the clusters or the short range ordering in the HEAs. The microstates revealed by the cluster-plus-glue-atom model are in line with the novel small set of the ordered structures method reported in the literature. © ASM International 2017 |
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